dicamba (CHEBI:81856)

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ChEBI Name	dicamba

ChEBI ID	CHEBI:81856

Definition	A methoxybenzoic acid that is O-methylsalicylic acid substituted by chloro groups at positions 3 and 6.

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

Supplier Information	eMolecules:35870393, ZINC000013542451

Download	Molfile XML SDF

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Formula

C8H6Cl2O3

Net Charge

Average Mass

221.030

Monoisotopic Mass

219.96940

InChI

InChI=1S/C8H6Cl2O3/c1-13-7-5(10)3-2-4(9)6(7)8(11)12/h2-3H,1H3,(H,11,12)

InChIKey

IWEDIXLBFLAXBO-UHFFFAOYSA-N

SMILES

C1(=CC=C(C(=C1OC)C(O)=O)Cl)Cl

Roles Classification
Chemical Role(s):	environmental contaminant Any minor or unwanted substance introduced into the environment that can have undesired effects. Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Bronsted base). (via oxoacid )

Biological Role(s):	synthetic auxin A synthetic compound exhibiting auxin activity. xenobiotic A xenobiotic (Greek, xenos "foreign"; bios "life") is a compound that is foreign to a living organism. Principal xenobiotics include: drugs, carcinogens and various compounds that have been introduced into the environment by artificial means.

Application(s):	herbicide A substance used to destroy plant pests. agrochemical An agrochemical is a substance that is used in agriculture or horticulture.

ChEBI Ontology
Outgoing	dicamba (CHEBI:81856) has role agrochemical (CHEBI:33286) dicamba (CHEBI:81856) has role environmental contaminant (CHEBI:78298) dicamba (CHEBI:81856) has role herbicide (CHEBI:24527) dicamba (CHEBI:81856) has role synthetic auxin (CHEBI:26841) dicamba (CHEBI:81856) has role xenobiotic (CHEBI:35703) dicamba (CHEBI:81856) is a dichlorobenzene (CHEBI:23697) dicamba (CHEBI:81856) is a methoxybenzoic acid (CHEBI:25238) dicamba (CHEBI:81856) is conjugate acid of 3,6-dichloro-2-methoxybenzoate (CHEBI:141349)

Incoming	dicamba-methyl (CHEBI:194161) has functional parent dicamba (CHEBI:81856) 3,6-dichloro-2-methoxybenzoate (CHEBI:141349) is conjugate base of dicamba (CHEBI:81856)

IUPAC Name

3,6-dichloro-2-methoxybenzoic acid

Synonym	Source
3,6-dichloro-o-anisic acid	NIST Chemistry WebBook

Last Modified

16 December 2022