CHEBI:60707 - 3-[2-(trifluoromethyl)phenyl]propanoic acid

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ChEBI Name 3-[2-(trifluoromethyl)phenyl]propanoic acid ChEBI ID CHEBI:60707 Definition A monocarboxylic acid comprising propionic acid having a 2-(trifluoromethyl)phenyl group 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 C10H9F3O2 Net Charge 0 Average Mass 218.17250 Monoisotopic Mass 218.05546 InChI InChI=1S/C10H9F3O2/c11-10(12,13)8-4-2-1-3-7(8)5-6-9(14)15/h1-4H,5-6H2,(H,14,15) InChIKey YTDVNFDGHHHPEE-UHFFFAOYSA-N SMILES OC(=O)CCc1ccccc1C(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-[2-(trifluoromethyl)phenyl]propanoic acid (CHEBI:60707) has functional parent propionic acid (CHEBI:30768) 3-[2-(trifluoromethyl)phenyl]propanoic acid (CHEBI:60707) is a (trifluoromethyl)benzenes (CHEBI:83565) 3-[2-(trifluoromethyl)phenyl]propanoic acid (CHEBI:60707) is a monocarboxylic acid (CHEBI:25384) Incoming 3-[2-(trifluoromethyl)phenyl]propanoyl group (CHEBI:60679) is substituent group from 3-[2-(trifluoromethyl)phenyl]propanoic acid (CHEBI:60707) IUPAC Name 3-[2-(trifluoromethyl)phenyl]propanoic acid Synonyms Sources 2-(trifluoromethyl)hydrocinnamic acid ChEBI 3-[2-(trifluoromethyl)phenyl]propionic acid ChEBI Registry Numbers Types Sources 8620814 Reaxys Registry Number Reaxys 94022-99-8 CAS Registry Number Reaxys Last Modified 03 November 2014