CHEBI:194161 - dicamba-methyl

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name dicamba-methyl
ChEBI ID CHEBI:194161
Definition The methyl ester of dicamba.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information ChemicalBook:CB2724915, eMolecules:509860, ZINC000000097471
Download Molfile XML SDF
Formula C9H8Cl2O3
Net Charge 0
Average Mass 235.060
Monoisotopic Mass 233.98505
InChI InChI=1S/C9H8Cl2O3/c1-13-8-6(11)4-3-5(10)7(8)9(12)14-2/h3-4H,1-2H3
InChIKey AWSBKDYHGOOSML-UHFFFAOYSA-N
SMILES COC(=O)C1=C(OC)C(Cl)=CC=C1Cl
Roles Classification
Chemical Role(s): environmental contaminant
Any minor or unwanted substance introduced into the environment that can have undesired effects.
Biological Role(s): synthetic auxin
A synthetic compound exhibiting auxin activity.
Application(s): agrochemical
An agrochemical is a substance that is used in agriculture or horticulture.
herbicide
A substance used to destroy plant pests.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing dicamba-methyl (CHEBI:194161) has functional parent dicamba (CHEBI:81856)
dicamba-methyl (CHEBI:194161) has role agrochemical (CHEBI:33286)
dicamba-methyl (CHEBI:194161) has role environmental contaminant (CHEBI:78298)
dicamba-methyl (CHEBI:194161) has role herbicide (CHEBI:24527)
dicamba-methyl (CHEBI:194161) has role synthetic auxin (CHEBI:26841)
dicamba-methyl (CHEBI:194161) is a dichlorobenzene (CHEBI:23697)
dicamba-methyl (CHEBI:194161) is a methyl ester (CHEBI:25248)
dicamba-methyl (CHEBI:194161) is a monomethoxybenzene (CHEBI:25235)
IUPAC Name
methyl 3,6-dichloro-2-methoxybenzoate
Synonyms Sources
2-methoxy-3,6-dichlorobenzoic acid methyl ester NIST Chemistry WebBook
3,6-dichloro-2-methoxybenzoic acid methyl ester ChEBI
dicamba methyl ChEBI
dicamba methyl ester ChEBI
disugran Alan Wood's Pesticides
methyl 2-methoxy-3,6-dichlorobenzoate NIST Chemistry WebBook
methyl 3,6-dichloro-o-anisate Alan Wood's Pesticides
Brand Names Sources
Racusa NIST Chemistry WebBook
Racuza NIST Chemistry WebBook
Manual Xrefs Databases
3370 PPDB
73143 ChemSpider
derivatives/dicamba-methyl Alan Wood's Pesticides
View more database links
Registry Numbers Types Sources
6597-78-0 CAS Registry Number NIST Chemistry WebBook
6597-78-0 CAS Registry Number Alan Wood's Pesticides
Citation Type Source
4840914 PubMed citation Europe PMC
Last Modified
16 December 2022