2,3-dichlorobenzoic acid (CHEBI:166845)

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ChEBI Name	2,3-dichlorobenzoic acid

ChEBI ID	CHEBI:166845

Definition	A chlorobenzoic acid that is benzoic acid in which the ring hydrogens at positions 2 and 3 are substituted by chloro groups.

Stars	This entity has been manually annotated by the ChEBI Team.

Submitter	Elad Noor

Supplier Information

Download	Molfile XML SDF

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Formula

C7H4Cl2O2

Net Charge

Average Mass

191.010

Monoisotopic Mass

189.95883

InChI

InChI=1S/C7H4Cl2O2/c8-5-3-1-2-4(6(5)9)7(10)11/h1-3H,(H,10,11)

InChIKey

QAOJBHRZQQDFHA-UHFFFAOYSA-N

SMILES

OC(=O)C1=C(Cl)C(Cl)=CC=C1

Metabolite of Species	Details
Alcaligenes eutrophus H850 (NCBI:txid53482)	See: PubMed

Roles Classification
Chemical Role(s):	impurity A chemical role played by any unwanted chemical substance inside a confined amount of liquid, gas, or solid, which differs from the chemical composition of the material or compound. For example, an impurity can be an undesired by-product of a chemical reaction or manufacturing process, a drug contaminant, or can be created upon degradation during storage. 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	2,3-dichlorobenzoic acid (CHEBI:166845) has functional parent benzoic acid (CHEBI:30746) 2,3-dichlorobenzoic acid (CHEBI:166845) has role bacterial xenobiotic metabolite (CHEBI:76976) 2,3-dichlorobenzoic acid (CHEBI:166845) has role impurity (CHEBI:143130) 2,3-dichlorobenzoic acid (CHEBI:166845) is a chlorobenzoic acid (CHEBI:23134) 2,3-dichlorobenzoic acid (CHEBI:166845) is a dichlorobenzene (CHEBI:23697) 2,3-dichlorobenzoic acid (CHEBI:166845) is conjugate acid of 2,3-dichlorobenzoate (CHEBI:166851)

Incoming	2,3-dichlorobenzoate (CHEBI:166851) is conjugate base of 2,3-dichlorobenzoic acid (CHEBI:166845)

IUPAC Name

2,3-dichlorobenzoic acid

Last Modified

13 November 2020