5-bromo-4-chloro-3-indolyl acetate (CHEBI:90149)

ChEBI > Main

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

ChEBI Name	5-bromo-4-chloro-3-indolyl acetate

ChEBI ID	CHEBI:90149

Definition	An acetate ester obtained by formal condensation of the carboxy group of acetic acid with the hydroxy group of 5-bromo-4-chloroindoxyl.

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

Supplier Information

Download	Molfile XML SDF

Formula

C10H7BrClNO2

Net Charge

Average Mass

288.525

Monoisotopic Mass

286.93487

InChI

InChI=1S/C10H7BrClNO2/c1-5(14)15-8-4-13-7-3-2-6(11)10(12)9(7)8/h2-4,13H,1H3

InChIKey

WPWLFFMSSOAORQ-UHFFFAOYSA-N

SMILES

N1C=C(C2=C1C=CC(=C2Cl)Br)OC(=O)C

Roles Classification
Application(s):	chromogenic compound Colourless, endogenous or exogenous pigment precursors that may be transformed by biological mechanisms into coloured compounds. They are used in biochemical assays and in diagnosis as indicators, particularly in the form of enzyme substrates.

ChEBI Ontology
Outgoing	5-bromo-4-chloro-3-indolyl acetate (CHEBI:90149) has functional parent indoxyl (CHEBI:17840) 5-bromo-4-chloro-3-indolyl acetate (CHEBI:90149) has role chromogenic compound (CHEBI:75050) 5-bromo-4-chloro-3-indolyl acetate (CHEBI:90149) is a acetate ester (CHEBI:47622) 5-bromo-4-chloro-3-indolyl acetate (CHEBI:90149) is a bromoindole (CHEBI:52514) 5-bromo-4-chloro-3-indolyl acetate (CHEBI:90149) is a chloroindole (CHEBI:52508)

IUPAC Name

5-bromo-4-chloro-1H-indol-3-yl acetate

Synonyms	Sources
5-Bromo-4-chloroindoxyl acetate	ChemIDplus
acetic acid-(5-bromo-4-chloro-indol-3-yl ester)	ChEBI
BCDA	ChemIDplus

Last Modified

29 October 2015