294724 <common-name>2-[n-nitroso-3-(trifluoromethyl)anilino]benzoic acid</common-name> <description>2-[n-nitroso-3-(trifluoromethyl)anilino]benzoic acid belongs to the trifluoromethylbenzenes, a subclass of benzene and substituted derivatives within the organic compounds. This benzenoid compound has the chemical formula C14H9F3N2O3 and an average molecular weight of 310.23 g/mol.</description> <cas>23595-00-8</cas> <pubchem-id>198014</pubchem-id> <chemical-formula>C14H9F3N2O3</chemical-formula> <weight>310.23</weight> <appearance nil="true"/> <melting-point nil="true"/> <boiling-point nil="true"/> <density nil="true"/> <solubility nil="true"/> <specific-gravity nil="true"/> <flash-point nil="true"/> <vapour-pressure nil="true"/> <route-of-exposure nil="true"/> <target nil="true"/> <mechanism-of-toxicity nil="true"/> <metabolism nil="true"/> <toxicity nil="true"/> <lethaldose nil="true"/> <carcinogenicity nil="true"/> <use-source nil="true"/> <min-risk-level nil="true"/> <health-effects nil="true"/> <symptoms nil="true"/> <treatment nil="true"/> <created-at type="dateTime">2026-08-28T10:30:34Z</created-at> <updated-at type="dateTime">2026-08-28T10:30:34Z</updated-at> <interacting-proteins nil="true"/> <wikipedia nil="true"/> <uniprot-id nil="true"/> <kegg-compound-id nil="true"/> <omim-id nil="true"/> <chebi-id nil="true"/> <biocyc-id nil="true"/> <ctd-id nil="true"/> <stitch-id nil="true"/> <drugbank-id nil="true"/> <pdb-id nil="true"/> <actor-id nil="true"/> <organism nil="true"/> <export type="boolean">true</export> <metabolizing-proteins nil="true"/> <transporting-proteins nil="true"/> <moldb-smiles>C1=CC=C(C(=C1)C(=O)O)N(C2=CC=CC(=C2)C(F)(F)F)N=O</moldb-smiles> <moldb-formula>C14H9F3N2O3</moldb-formula> <moldb-inchi>InChI=1S/C14H9F3N2O3/c15-14(16,17)9-4-3-5-10(8-9)19(18-22)12-7-2-1-6-11(12)13(20)21/h1-8H,(H,20,21)</moldb-inchi> <moldb-inchikey>BDCPSOSZLWKCJC-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">310.0565266</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>3.7</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id nil="true"/> <structure-image-file-name nil="true"/> <structure-image-content-type nil="true"/> <structure-image-file-size type="integer" nil="true"/> <structure-image-updated-at type="dateTime" nil="true"/> <biodb-id nil="true"/> <synthesis-reference nil="true"/> <structure-image-caption nil="true"/> <chemdb-id>CHEM290617</chemdb-id> <dsstox-id nil="true"/> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id nil="true"/> <iupac>2-[n-nitroso-3-(trifluoromethyl)anilino]benzoic acid</iupac> <moldb-polar-surface-area nil="true"/> <moldb-refractivity nil="true"/> <moldb-polarizability nil="true"/> <moldb-rotatable-bond-count nil="true"/> <moldb-acceptor-count nil="true"/> <moldb-donor-count nil="true"/> <moldb-pka-strongest-acidic nil="true"/> <moldb-pka-strongest-basic nil="true"/> <moldb-physiological-charge nil="true"/> <moldb-number-of-rings nil="true"/> <moldb-alogps-logp nil="true"/> <moldb-alogps-logs nil="true"/> <moldb-alogps-solubility nil="true"/> <kingdom>Organic compounds</kingdom> <superklass>Benzenoids</superklass> <klass>Benzene and substituted derivatives</klass> <subklass>Trifluoromethylbenzenes</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0246193</sync-id> <structure-inchikey>BDCPSOSZLWKCJC-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>2000000000000000000000000000000000000000000080000000000000000000000004000000000000000080000000000000000000000000000100000000000000000120000010000000000004000000000000000000014100000000000000104000000000000000000000001000000000000001010000000400808000000000000000000000000100000000000000080000000000000000000000002000080002000040002001040000000000000000200080000000000000000000000000000000000000000000000000000200000000000000000000000000000040000000000400800000000000000100000060000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAWAAAAFwAAAIABBkBoAAAAAwMBBkBoAAAA AwMBBkBoAAAAAwMBBkAoAAAAAwQGQCgAAAADBAZAaAAAAAMDAQYAKAAAAAME CAAoAAAAAwIIAGgAAAADAQEHACgAAAADAwZAKAAAAAMEBkBoAAAAAwMBBkBo AAAAAwMBBkBoAAAAAwMBBkAoAAAAAwQGQGgAAAADAwEGACAAAAAECQAgAAAA AQkAIAAAAAEJACAAAAABBwAoAAAAAwMIACgAAAADAgsAAWgMAQJoDAIDaAwD BGgMBAVoDAQGIAYHKAIGCCADCSAJCiAKC2gMCwxoDAwNaAwNDmgMDg9oDA4Q ABARABASABATAAkUIBQVKAIFAGgMDwpoDEICAAAABgAFBAMCAQYLDA0ODwoX BAAAAAAAAAAW </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:06:14Z</structure-indexed-at> </compound>