CHEBI:60694 - 2-(trifluoromethyl)benzoic acid

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ChEBI Name 2-(trifluoromethyl)benzoic acid ChEBI ID CHEBI:60694 Definition A benzoic acid carrying a trifluoromethyl substituent at the 2-position. Stars This entity has been manually annotated by the ChEBI Team. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C8H5F3O2 Net Charge 0 Average Mass 190.11930 Monoisotopic Mass 190.02416 InChI InChI=1S/C8H5F3O2/c9-8(10,11)6-4-2-1-3-5(6)7(12)13/h1-4H,(H,12,13) InChIKey FBRJYBGLCHWYOE-UHFFFAOYSA-N SMILES OC(=O)c1ccccc1C(F)(F)F Roles Classification Chemical Role(s): Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Bronsted base). (via oxoacid ) View more via ChEBI Ontology ChEBI Ontology Outgoing 2-(trifluoromethyl)benzoic acid (CHEBI:60694) is a (trifluoromethyl)benzenes (CHEBI:83565) 2-(trifluoromethyl)benzoic acid (CHEBI:60694) is a benzoic acids (CHEBI:22723) Incoming 2-(trifluoromethyl)benzoyl group (CHEBI:60661) is substituent group from 2-(trifluoromethyl)benzoic acid (CHEBI:60694) IUPAC Name 2-(trifluoromethyl)benzoic acid Synonyms Sources 2-(trifluoroformyl)benzoic acid ChEBI 2-TFMBA ChEBI 2-Trifluoromethylbenzoic acid ChemIDplus alpha,alpha,alpha-Trifluoro-o-toluic acid ChemIDplus o-(trifluoroformyl)benzoic acid ChEBI o-(trifluoromethyl)benzoic acid ChEBI o-trifluoromethylbenzoic acid NIST Chemistry WebBook ortho-(trifluoromethyl)benzoic acid ChEBI Registry Numbers Types Sources 433-97-6 CAS Registry Number NIST Chemistry WebBook 433-97-6 CAS Registry Number ChemIDplus 976984 Reaxys Registry Number Reaxys Citations Types Sources 10078838 PubMed citation Europe PMC 8580156 PubMed citation Europe PMC Last Modified 03 November 2014