CHEBI:28665 - 3-fluorobenzoate

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 3-fluorobenzoate
ChEBI ID CHEBI:28665
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:1504, CHEBI:20020
Supplier Information
Download Molfile XML SDF
Formula C7H4FO2
Net Charge -1
Average Mass 139.10386
Monoisotopic Mass 139.02008
InChI InChI=1S/C7H5FO2/c8-6-3-1-2-5(4-6)7(9)10/h1-4H,(H,9,10)/p-1
InChIKey MXNBDFWNYRNIBH-UHFFFAOYSA-M
SMILES [O-]C(=O)c1cccc(F)c1
ChEBI Ontology
Outgoing 3-fluorobenzoate (CHEBI:28665) has functional parent benzoate (CHEBI:16150)
3-fluorobenzoate (CHEBI:28665) is a fluorobenzoate (CHEBI:24070)
3-fluorobenzoate (CHEBI:28665) is conjugate base of 3-fluorobenzoic acid (CHEBI:20021)
Incoming 3-fluorobenzoic acid (CHEBI:20021) is conjugate acid of 3-fluorobenzoate (CHEBI:28665)
IUPAC Name
3-fluorobenzoate
Synonyms Sources
3-Fluorobenzoate KEGG COMPOUND
3-Fluorobenzoate UM-BBD
m-fluorobenzoate ChEBI
Manual Xrefs Databases
C02364 KEGG COMPOUND
c1072 UM-BBD
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Registry Number Type Source
3663558 Beilstein Registry Number Beilstein
Last Modified
26 September 2006