CHEBI:46796 - pentafluorobenzoic acid

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name pentafluorobenzoic acid
ChEBI ID CHEBI:46796
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
more structures >>
Formulae C7HF5O2
C7HF5O2
Net Charge 0
Average Mass 212.074
Monoisotopic Mass 211.98967
InChI InChI=1S/C7HF5O2/c8-2-1(7(13)14)3(9)5(11)6(12)4(2)10/h(H,13,14)
InChIKey YZERDTREOUSUHF-UHFFFAOYSA-N
SMILES C=1(C(=C(C(=C(C1F)F)F)F)F)C(=O)O
ChEBI Ontology
Outgoing pentafluorobenzoic acid (CHEBI:46796) has functional parent benzoic acid (CHEBI:30746)
pentafluorobenzoic acid (CHEBI:46796) is a perfluorinated compound (CHEBI:134091)
Incoming pentafluorobenzoyl chloride (CHEBI:39425) has functional parent pentafluorobenzoic acid (CHEBI:46796)
IUPAC Name
pentafluorobenzoic acid
Synonyms Sources
2,3,4,5,6-Pentafluorobenzoic acid ChemIDplus
Perfluorobenzoic acid ChemIDplus
Registry Numbers Types Sources
2054395 Beilstein Registry Number Beilstein
602-94-8 CAS Registry Number ChemIDplus
602-94-8 CAS Registry Number NIST Chemistry WebBook
Last Modified
09 December 2016