Methyl 4-chloro-1H-indole-3-acetate (CHEBI:190058)

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.

ChEBI Name	Methyl 4-chloro-1H-indole-3-acetate

ChEBI ID	CHEBI:190058

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C11H10ClNO2

Net Charge

Average Mass

223.660

Monoisotopic Mass

223.04001

InChI

InChI=1S/C11H10ClNO2/c1-15-10(14)5-7-6-13-9-4-2-3-8(12)11(7)9/h2-4,6,13H,5H2,1H3

InChIKey

SYPGJEURLIGNPE-UHFFFAOYSA-N

SMILES

ClC=1C=2C(CC(OC)=O)=CNC2C=CC1

Metabolite of Species	Details
Brassica napus (NCBI:txid3708)	Found in flower (BTO:0000469). See: MetaboLights Study

Roles Classification
Chemical Role(s):	Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Bronsted base). (via oxoacid )

ChEBI Ontology
Outgoing	Methyl 4-chloro-1H-indole-3-acetate (CHEBI:190058) is a indole-3-acetic acids (CHEBI:24803)

IUPAC Name

methyl 2-(4-chloro-1H-indol-3-yl)acetate

Registry Number	Type	Source
19077-78-2	CAS Registry Number	ChemIDplus