methyl 3,5-dichloro-4-methoxybenzoate (CHEBI:197754)

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CHEBI:197754 - methyl 3,5-dichloro-4-methoxybenzoate

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ChEBI ID	CHEBI:197754
ChEBI Name	methyl 3,5-dichloro-4-methoxybenzoate
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C9H8Cl2O3
Net Charge	0
Average Mass	235.066
Monoisotopic Mass	233.98505
SMILES	COC(=O)c1cc(Cl)c(OC)c(Cl)c1
InChI	InChI=1S/C9H8Cl2O3/c1-13-8-6(10)3-5(4-7(8)11)9(12)14-2/h3-4H,1-2H3
InChIKey	SHPKLAWJDWHSCJ-UHFFFAOYSA-N

Species of Metabolite	Component	Source	Comments
Bjerkandera (ncbitaxon:5330)	-	DOI (10.1016/0031-9422(96)00191-4)

Roles Classification

Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base).

ChEBI Ontology

Outgoing Relation(s)
	methyl 3,5-dichloro-4-methoxybenzoate (CHEBI:197754) is a methoxybenzoic acid (CHEBI:25238)

IUPAC Name
methyl 3,5-dichloro-4-methoxybenzoate

Manual Xrefs	Databases
29932	ChemSpider