4-fluorobenzoic acid (CHEBI:20364)

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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.

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Formula

C7H5FO2

Net Charge

Average Mass

140.11180

Monoisotopic Mass

140.02736

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.

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

Last Modified

28 July 2014