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CHEBI:46796 - pentafluorobenzoic acid
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ChEBI Name
pentafluorobenzoic acid
ChEBI ID
CHEBI:46796
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This entity has been manually annotated by the ChEBI Team.
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Molfile
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