{"id":48696,"date":"2024-05-14T16:13:11","date_gmt":"2024-05-14T08:13:11","guid":{"rendered":"http:\/\/www.newtopchem.com\/archives\/48696"},"modified":"2024-05-14T16:13:11","modified_gmt":"2024-05-14T08:13:11","slug":"n-3-fluorophenylanthranilic-acid","status":"publish","type":"post","link":"http:\/\/www.newtopchem.com\/archives\/48696","title":{"rendered":"N-(3-fluorophenyl)anthranilic acid","gt_translate_keys":[{"key":"rendered","format":"text"}]},"content":{"rendered":"<p><img decoding=\"async\" loading=\"lazy\" class=\"alignnone size-full wp-image-48695\" src=\"http:\/\/www.newtopchem.com\/wp-content\/uploads\/2024\/05\/b8bec96fcf6c42c9aaf7c44d473f8f1e.gif\" width=\"170\" height=\"227\" alt=\"N-(3-fluorophenyl)anthranilic acid structural formula\" \/><\/p>\n<p>Structural formula<\/p>\n<table class=\"summary-table table table-striped table-bordered\">\n<col width=\"90\" \/>\n<tbody>\n<tr>\n<th scope=\"row\">Business number<\/th>\n<td>016F<\/td>\n<\/tr>\n<tr>\n<th scope=\"row\">Molecular formula<\/th>\n<td>C13H10FNO2<\/td>\n<\/tr>\n<tr>\n<th scope=\"row\">Molecular weight<\/th>\n<td>231.22<\/td>\n<\/tr>\n<tr>\n<th scope=\"row\">label<\/th>\n<td>\n<p>                         N-(3-fluorophenyl)anthranilic acid,<\/p>\n<p>                         2-((3-fluorophenyl)amino)-benzoic acid<\/p>\n<\/td>\n<\/tr>\n<\/tbody>\n<\/table>\n<ul class=\"nav nav-tabs\">\n<li class=\"active\"><a href=\"#bh\">Numbering system<\/a><\/li>\n<li><a href=\"#wx\">Physical property data<\/a><\/li>\n<li><a href=\"#dl\">Toxicological data<\/a><\/li>\n<li><a href=\"#st\">Ecological data<\/a><\/li>\n<li><a href=\"#fz\">Molecular structure data<\/a><\/li>\n<li><a href=\"#js\">Computing chemical data<\/a><\/li>\n<li class=\"dropdown pull-right\">\n                     <a href=\"\" class=\"dropdown-toggle\">More <span class=\"caret\"><\/span><\/a><\/p>\n<ul class=\"dropdown-menu\" role=\"menu\">\n<li><a href=\"#xz\">Properties and Stability<\/a><\/li>\n<li><a href=\"#zc\">Storage method<\/a><\/li>\n<li><a href=\"#hc\">Synthesis method<\/a><\/li>\n<li><a href=\"#yt\">Purpose<\/a><\/li>\n<\/ul>\n<\/li>\n<\/ul>\n<h2 id=\"bh\">Numbering system<\/h2>\n<p><b>CAS number:<\/b>54-59-1<\/p>\n<p><b>MDL number:<\/b>MFCD01675228<\/p>\n<p><b>EINECS number:<\/b>None<\/p>\n<p><b>RTECS number:<\/b>CB3060000<\/p>\n<p><b>BRN number:<\/b>None<\/p>\n<p><b>PubChem ID:<\/b>None<\/p>\n<h2 id=\"wx\">Physical property data<\/h2>\n<p>\n     None\n     <\/p>\n<h2 id=\"dl\">Toxicological data<\/h2>\n<p>\n     <SPAN>1<\/SPAN><SPAN>, acute toxicity: mouse abdominal cavity <SPAN>LD50<\/SPAN>: <SPAN>362mg\/kg<\/SPAN>;<\/SPAN>\n     <\/p>\n<h2 id=\"st\">Ecological data<\/h2>\n<p>\n     None\n     <\/p>\n<h2 id=\"fz\">Molecular structure data<\/h2>\n<p>\n     <P class=\"MsoNormal\" align=\"left\"><SPAN>5. Molecular property data:<\/SPAN><SPAN><\/SPAN><\/P><br \/>\n <P class=\"MsoNormal\" align=\"left\"><SPAN><SPAN>1. <SPAN> <\/SPAN><\/SPAN><\/SPAN><SPAN>Molar refractive index: <\/SPAN>  <SPAN>62.55<\/SPAN><\/P><br \/>\n <P class=\"MsoNormal\" align=\"left\"><SPAN><SPAN>2. <SPAN> <\/SPAN><\/SPAN><\/SPAN><SPAN>Molar volume (<\/SPAN><SPAN>m<SUP>3<\/SUP>\/mol<\/SPAN><SPAN>): <\/SPAN><SPAN>172.2<\/SPAN><\/P><br \/>\n <P class=\"MsoNormal\" align=\"left\"><SPAN><SPAN>3. <SPAN> <\/SPAN><\/SPAN><\/SPAN><SPAN>isotonic specific volume (<\/SPAN><SPAN>90.2K<\/SPAN><SPAN>):<\/SPAN><SPAN>469.8<\/SPAN><\/P><br \/>\n <P class=\"MsoNormal\" align=\"left\"><SPAN><SPAN>4. <SPAN> <\/SPAN><\/SPAN><\/SPAN><SPAN>Surface Tension (<\/SPAN><SPAN>dyne\/cm<\/SPAN><SPAN>):<\/SPAN><SPAN>55.4<\/SPAN><\/P><br \/>\n <P class=\"MsoNormal\" align=\"left\"><SPAN><SPAN>5. <SPAN> <\/SPAN><\/SPAN><\/SPAN><SPAN>Polarizability<\/SPAN><SPAN>\uff08<\/SPAN><SPAN>10<SUP>-24<\/SUP>cm<SUP>3<\/SUP><\/SPAN><SPAN>): <\/SPAN><SPAN>24.79<\/SPAN><\/P>\n     <\/p>\n<h2 id=\"js\">Compute chemical data<\/h2>\n<p>\n     <P class=\"MsoNormal\" align=\"left\"><SPAN><SPAN>1. <SPAN> <\/SPAN><\/SPAN><\/SPAN>  <SPAN>Reference value for hydrophobic parameter calculation (<SPAN>XlogP<\/SPAN>):<SPAN>5<\/SPAN><\/SPAN><SPAN><\/SPAN><\/P><br \/>\n <P class=\"MsoNormal\" align=\"left\"><SPAN><SPAN>2. <SPAN> <\/SPAN><\/SPAN><\/SPAN>  <SPAN>Number of hydrogen bond donors: <SPAN>2<\/SPAN><\/SPAN><SPAN><\/SPAN><\/P><br \/>\n <P class=\"MsoNormal\" align=\"left\"><SPAN><SPAN>3. <SPAN> <\/SPAN><\/SPAN><\/SPAN><SPAN>Number of hydrogen bond acceptors: <SPAN>4<\/SPAN><\/SPAN><SPAN><\/SPAN><\/P><br \/>\n <P class=\"MsoNormal\" align=\"left\"><SPAN><SPAN>4. <SPAN> <\/SPAN><\/SPAN><\/SPAN>  <SPAN>Number of rotatable chemical bonds: <SPAN>3<\/SPAN><\/SPAN>  <SPAN><\/SPAN><\/P><br \/>\n <P class=\"MsoNormal\" align=\"left\"><SPAN><SPAN>5. <SPAN> <\/SPAN><\/SPAN><\/SPAN>  <SPAN>Number of tautomers: <SPAN>2<\/SPAN><\/SPAN><SPAN><\/SPAN><\/P><br \/>\n <P class=\"MsoNormal\" align=\"left\"><SPAN><SPAN>6. <SPAN> <\/SPAN><\/SPAN><\/SPAN>  <SPAN>Topological molecular polar surface area (<SPAN>TPSA<\/SPAN>):<SPAN>49.3<\/SPAN><\/SPAN><SPAN><\/SPAN><\/P><br \/>\n <P class=\"MsoNormal\" align=\"left\"><SPAN><SPAN>7. <SPAN> <\/SPAN><\/SPAN><\/SPAN>  <SPAN>Number of heavy atoms: <SPAN>17<\/SPAN><\/SPAN><SPAN><\/SPAN><\/P><br \/>\n <P class=\"MsoNormal\" align=\"left\"><SPAN><SPAN>8. <SPAN> <\/SPAN><\/SPAN><\/SPAN>  <SPAN>Surface charge: <SPAN>0<\/SPAN><\/SPAN><SPAN>  <\/SPAN><\/P><br \/>\n <P class=\"MsoNormal\" align=\"left\"><SPAN><SPAN>9. <SPAN> <\/SPAN><\/SPAN><\/SPAN>  <SPAN>Complexity: <SPAN>272<\/SPAN><\/SPAN><SPAN>  <\/SPAN><\/P><br \/>\n <P class=\"MsoNormal\" align=\"left\"><SPAN><SPAN>10. <\/SPAN><\/SPAN><SPAN>Number of isotope atoms: <SPAN>0<\/SPAN><\/SPAN><\/P><br \/>\n <P class=\"MsoNormal\" align=\"left\"><SPAN><SPAN>11. <\/SPAN><\/SPAN><SPAN>Determine the number of atomic stereocenters: <SPAN>0<\/SPAN><\/SPAN><\/P><br \/>\n <P class=\"MsoNormal\" align=\"left\"><SPAN><SPAN>12. <\/SPAN><\/SPAN><SPAN>The number of uncertain atomic stereocenters: <SPAN>0<\/SPAN><\/SPAN><\/P><br \/>\n <P class=\"MsoNormal\" align=\"left\"><SPAN><SPAN>13. <\/SPAN><\/SPAN><SPAN>Determine the number of stereocenters of chemical bonds: <SPAN>0<\/SPAN><\/SPAN><\/P><br \/>\n <P class=\"MsoNormal\" align=\"left\"><SPAN><SPAN>14. <\/SPAN><\/SPAN><SPAN>Uncertain number of chemical bond stereocenters: <SPAN>0<\/SPAN><\/SPAN><\/P><br \/>\n <P class=\"MsoNormal\" align=\"left\"><SPAN><SPAN>15. <\/SPAN><\/SPAN><SPAN>Number of covalent bond units: <SPAN>1<\/SPAN><\/SPAN><\/P>\n     <\/p>\n<h2 id=\"xz\">Properties and stability<\/h2>\n<p>\n     None\n     <\/p>\n<h2 id=\"zc\">Storage method<\/h2>\n<p>\n     None\n     <\/p>\n<h2 id=\"hc\">Synthesis method<\/h2>\n<p>\n     None\n     <\/p>\n<h2 id=\"yt\">Purpose<\/h2>\n<p>\n     None\n     <\/p>\n<p>     extended-reading:<a href=\"https:\/\/www.bdmaee.net\/niax-b-9-balanced-tertiary-amine-catalyst-momentive\/\">https:\/\/www.bdmaee.net\/niax-b-9-balanced-tertiary-amine-catalyst-momentive\/<\/a><\/br>extended-reading:<a href=\"https:\/\/www.newtopchem.com\/archives\/category\/products\/page\/34\">https:\/\/www.newtopchem.com\/archives\/category\/products\/page\/34<\/a><\/br>extended-reading:<a href=\"https:\/\/www.newtopchem.com\/archives\/1808\">https:\/\/www.newtopchem.com\/archives\/1808<\/a><\/br>extended-reading:<a href=\"https:\/\/www.bdmaee.net\/tib-kat-129-3\/\">https:\/\/www.bdmaee.net\/tib-kat-129-3\/<\/a><\/br>extended-reading:<a href=\"https:\/\/www.bdmaee.net\/dabco-mp608-dabco-mp608-catalyst-delayed-equilibrium-catalyst\/\">https:\/\/www.bdmaee.net\/dabco-mp608-dabco-mp608-catalyst-delayed-equilibrium-catalyst\/<\/a><\/br>extended-reading:<a href=\"https:\/\/www.newtopchem.com\/archives\/44424\">https:\/\/www.newtopchem.com\/archives\/44424<\/a><\/br>extended-reading:<a href=\"https:\/\/www.newtopchem.com\/archives\/44472\">https:\/\/www.newtopchem.com\/archives\/44472<\/a><\/br>extended-reading:<a href=\"https:\/\/www.bdmaee.net\/wp-content\/uploads\/2022\/08\/Dimethylaminoethoxyethanol-CAS-1704-62-7-N-dimethylethylaminoglycol.pdf\">https:\/\/www.bdmaee.net\/wp-content\/uploads\/2022\/08\/Dimethylaminoethoxyethanol-CAS-1704-62-7-N-dimethylethylaminoglycol.pdf<\/a><\/br>extended-reading:<a href=\"https:\/\/www.cyclohexylamine.net\/dabco-bl-11-niax-a-1-jeffcat-zf-22\/\">https:\/\/www.cyclohexylamine.net\/dabco-bl-11-niax-a-1-jeffcat-zf-22\/<\/a><\/br>extended-reading:<a href=\"https:\/\/www.bdmaee.net\/fomrez-ul-38-catalyst-dioctyldodecyltin-oxide-momentive\/\">https:\/\/www.bdmaee.net\/fomrez-ul-38-catalyst-dioctyldodecyltin-oxide-momentive\/<\/a><\/p>\n","protected":false,"gt_translate_keys":[{"key":"rendered","format":"html"}]},"excerpt":{"rendered":"<p>Structural formula Business number 016F Molecular formu&#8230;<\/p>\n","protected":false,"gt_translate_keys":[{"key":"rendered","format":"html"}]},"author":1,"featured_media":48695,"comment_status":"closed","ping_status":"closed","sticky":false,"template":"","format":"standard","meta":[],"categories":[6],"tags":[15274],"gt_translate_keys":[{"key":"link","format":"url"}],"_links":{"self":[{"href":"http:\/\/www.newtopchem.com\/wp-json\/wp\/v2\/posts\/48696"}],"collection":[{"href":"http:\/\/www.newtopchem.com\/wp-json\/wp\/v2\/posts"}],"about":[{"href":"http:\/\/www.newtopchem.com\/wp-json\/wp\/v2\/types\/post"}],"author":[{"embeddable":true,"href":"http:\/\/www.newtopchem.com\/wp-json\/wp\/v2\/users\/1"}],"replies":[{"embeddable":true,"href":"http:\/\/www.newtopchem.com\/wp-json\/wp\/v2\/comments?post=48696"}],"version-history":[{"count":0,"href":"http:\/\/www.newtopchem.com\/wp-json\/wp\/v2\/posts\/48696\/revisions"}],"wp:featuredmedia":[{"embeddable":true,"href":"http:\/\/www.newtopchem.com\/wp-json\/wp\/v2\/media\/48695"}],"wp:attachment":[{"href":"http:\/\/www.newtopchem.com\/wp-json\/wp\/v2\/media?parent=48696"}],"wp:term":[{"taxonomy":"category","embeddable":true,"href":"http:\/\/www.newtopchem.com\/wp-json\/wp\/v2\/categories?post=48696"},{"taxonomy":"post_tag","embeddable":true,"href":"http:\/\/www.newtopchem.com\/wp-json\/wp\/v2\/tags?post=48696"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}