CHEBI:20021 - 3-fluorobenzoic acid

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ChEBI Name 3-fluorobenzoic acid
ChEBI ID CHEBI:20021
Definition A fluorobenzoic acid that is benzoic acid substituted by a fluoro group at position 3.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C7H5FO2
Net Charge 0
Average Mass 140.11180
Monoisotopic Mass 140.027
InChI InChI=1S/C7H5FO2/c8-6-3-1-2-5(4-6)7(9)10/h1-4H,(H,9,10)
InChIKey MXNBDFWNYRNIBH-UHFFFAOYSA-N
SMILES OC(=O)c1cccc(F)c1
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 3-fluorobenzoic acid (CHEBI:20021) is a fluorobenzoic acid (CHEBI:24071)
3-fluorobenzoic acid (CHEBI:20021) is conjugate acid of 3-fluorobenzoate (CHEBI:28665)
Incoming 3-fluorobenzoyl-CoA (CHEBI:28042) has functional parent 3-fluorobenzoic acid (CHEBI:20021)
3-fluorobenzoate (CHEBI:28665) is conjugate base of 3-fluorobenzoic acid (CHEBI:20021)
IUPAC Name
3-fluorobenzoic acid
Synonyms Sources
3-Fluorobenzoic acid KEGG COMPOUND
m-Fluorobenzoic acid ChemIDplus
meta-Fluorobenzoic acid NIST Chemistry WebBook
Manual Xref Database
C02364 KEGG COMPOUND
View more database links
Registry Numbers Types Sources
1906920 Beilstein Registry Number Beilstein
1906920 Reaxys Registry Number Reaxys
455-38-9 CAS Registry Number KEGG COMPOUND
455-38-9 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
15352819 PubMed citation Europe PMC
16348996 PubMed citation Europe PMC
8002393 PubMed citation Europe PMC
Last Modified
28 July 2014