CHEBI:20364 - 4-fluorobenzoic acid

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 4-fluorobenzoic acid
ChEBI ID CHEBI:20364
Definition A fluorobenzoic acid carrying a fluoro substituent at position 4.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
more structures >>
Wikipedia License
Waiting for wikipedia content
Read full article at Wikipedia
Formula C7H5FO2
Net Charge 0
Average Mass 140.11180
Monoisotopic Mass 140.027
InChI InChI=1S/C7H5FO2/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,(H,9,10)
InChIKey BBYDXOIZLAWGSL-UHFFFAOYSA-N
SMILES OC(=O)c1ccc(F)cc1
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
Biological Role(s): bacterial xenobiotic metabolite
Any bacterial metabolite produced by metabolism of a xenobiotic compound in bacteria.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 4-fluorobenzoic acid (CHEBI:20364) has role bacterial xenobiotic metabolite (CHEBI:76976)
4-fluorobenzoic acid (CHEBI:20364) is a fluorobenzoic acid (CHEBI:24071)
4-fluorobenzoic acid (CHEBI:20364) is conjugate acid of 4-fluorobenzoate (CHEBI:27893)
Incoming 4-fluorobenzoyl-CoA (CHEBI:27677) has functional parent 4-fluorobenzoic acid (CHEBI:20364)
4-fluorobenzoate (CHEBI:27893) is conjugate base of 4-fluorobenzoic acid (CHEBI:20364)
IUPAC Name
4-fluorobenzoic acid
Synonyms Sources
4-Fluorobenzoic acid KEGG COMPOUND
p-fluorobenzoic acid ChemIDplus
para-fluorobenzoic acid NIST Chemistry WebBook
Manual Xrefs Databases
4-Fluorobenzoic_acid Wikipedia
C02371 KEGG COMPOUND
View more database links
Registry Numbers Types Sources
1906922 Beilstein Registry Number Beilstein
1906922 Reaxys Registry Number Reaxys
456-22-4 CAS Registry Number KEGG COMPOUND
456-22-4 CAS Registry Number ChemIDplus
456-22-4 CAS Registry Number NIST Chemistry WebBook
Citations Waiting for Citations Types Sources
11693292 PubMed citation Europe PMC
21097599 PubMed citation Europe PMC
23439662 PubMed citation Europe PMC
Last Modified
28 July 2014