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CHEBI:46796 - pentafluorobenzoic acid

ChEBI IDCHEBI:46796
ChEBI Namepentafluorobenzoic acid
Stars
Last Modified9 December 2016
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC7HF5O2
Net Charge0
Average Mass212.073
Monoisotopic Mass211.98967
SMILESO=C(O)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C7HF5O2/c8-2-1(7(13)14)3(9)5(11)6(12)4(2)10/h(H,13,14)
InChIKeyYZERDTREOUSUHF-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
pentafluorobenzoic acid (CHEBI:46796) has functional parent benzoic acid (CHEBI:30746)
pentafluorobenzoic acid (CHEBI:46796) is a perfluorinated compound (CHEBI:134091)
Incoming Relation(s)
pentafluorobenzoyl chloride (CHEBI:39425) has functional parent pentafluorobenzoic acid (CHEBI:46796)
IUPAC Name 
pentafluorobenzoic acid
Synonyms  Source
Perfluorobenzoic acidChemIDplus
2,3,4,5,6-Pentafluorobenzoic acidChemIDplus
Registry NumbersSources
Beilstein:2054395Beilstein
CAS:602-94-8ChemIDplus
CAS:602-94-8NIST Chemistry WebBook