CHEBI:60697 - 2,5-bis(trifluoromethyl)benzoic acid

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

ChEBI Name 2,5-bis(trifluoromethyl)benzoic acid ChEBI ID CHEBI:60697 Definition A benzoic acid carrying trifluoromethyl substituents at the 2- and 5-positions. 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 C9H4F6O2 Net Charge 0 Average Mass 258.11730 Monoisotopic Mass 258.01155 InChI InChI=1S/C9H4F6O2/c10-8(11,12)4-1-2-6(9(13,14)15)5(3-4)7(16)17/h1-3H,(H,16,17) InChIKey PINBPLCVZSKLTF-UHFFFAOYSA-N SMILES OC(=O)c1cc(ccc1C(F)(F)F)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 2,5-bis(trifluoromethyl)benzoic acid (CHEBI:60697) is a (trifluoromethyl)benzenes (CHEBI:83565) 2,5-bis(trifluoromethyl)benzoic acid (CHEBI:60697) is a benzoic acids (CHEBI:22723) Incoming 2,5-bis(trifluoromethyl)benzoyl group (CHEBI:60664) is substituent group from 2,5-bis(trifluoromethyl)benzoic acid (CHEBI:60697) IUPAC Name 2,5-bis(trifluoromethyl)benzoic acid Synonym Source 2,5-bis(trifluoroformyl)benzoic acid ChEBI Registry Number Type Source 1989837 Reaxys Registry Number Reaxys Last Modified 03 November 2014