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

ChEBI IDCHEBI:60697
ChEBI Name2,5-bis(trifluoromethyl)benzoic acid
Stars
DefinitionA benzoic acid carrying trifluoromethyl substituents at the 2- and 5-positions.
Last Modified3 November 2014
Submitterzjosephs
DownloadsMolfile
FormulaC9H4F6O2
Net Charge0
Average Mass258.117
Monoisotopic Mass258.01155
SMILESO=C(O)c1cc(C(F)(F)F)ccc1C(F)(F)F
InChIInChI=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)
InChIKeyPINBPLCVZSKLTF-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
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 Relation(s)
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 acidChEBI
Registry NumbersSources
Reaxys:1989837Reaxys