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

ChEBI IDCHEBI:90149
ChEBI Name5-bromo-4-chloro-3-indolyl acetate
Stars
DefinitionAn acetate ester obtained by formal condensation of the carboxy group of acetic acid with the hydroxy group of 5-bromo-4-chloroindoxyl.
Last Modified29 October 2015
SubmitterSteve
DownloadsMolfile
FormulaC10H7BrClNO2
Net Charge0
Average Mass288.528
Monoisotopic Mass286.93487
SMILESCC(=O)Oc1cnc2ccc(Br)c(Cl)c12
InChIInChI=1S/C10H7BrClNO2/c1-5(14)15-8-4-13-7-3-2-6(11)10(12)9(7)8/h2-4,13H,1H3
InChIKeyWPWLFFMSSOAORQ-UHFFFAOYSA-N
Roles Classification
Application:
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 Relation(s)
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  Source
BCDAChemIDplus
5-Bromo-4-chloroindoxyl acetateChemIDplus
acetic acid-(5-bromo-4-chloro-indol-3-yl ester)ChEBI
Registry NumbersSources
Reaxys:199004Reaxys
CAS:3252-36-6ChemIDplus