CHEBI:60695 - 3-trifluoromethylbenzoic acid

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ChEBI Name 3-trifluoromethylbenzoic acid ChEBI ID CHEBI:60695 Definition A benzoic acid carrying a trifluoromethyl substituent at the 3-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)6-3-1-2-5(4-6)7(12)13/h1-4H,(H,12,13) InChIKey FQXQBFUUVCDIRK-UHFFFAOYSA-N SMILES OC(=O)c1cccc(c1)C(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 3-trifluoromethylbenzoic acid (CHEBI:60695) is a (trifluoromethyl)benzenes (CHEBI:83565) 3-trifluoromethylbenzoic acid (CHEBI:60695) is a benzoic acids (CHEBI:22723) Incoming 3-(trifluoromethyl)benzoyl group (CHEBI:60662) is substituent group from 3-trifluoromethylbenzoic acid (CHEBI:60695) IUPAC Name 3-(trifluoromethyl)benzoic acid Synonyms Sources 3-carboxybenzotrifluoride ChEBI 3-TFMBA ChEBI 3-trifluoromethyl-benzoic acid ChEBI alpha,alpha,alpha-Trifluoro-m-toluic acid ChemIDplus α,α,α-trifluoro-m-toluic acid NIST Chemistry WebBook m-(trifluoroformyl)benzoic acid ChEBI m-(trifluoromethyl)benzoic acid ChEBI Registry Numbers Types Sources 2049239 Reaxys Registry Number Reaxys 454-92-2 CAS Registry Number ChemIDplus 454-92-2 CAS Registry Number NIST Chemistry WebBook Citation Type Source 532219 PubMed citation Europe PMC Last Modified 03 November 2014