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CAS Number: 125328-76-9
1-(5-bromo-4-chloro-3-hydroxy-1H-indol-1-yl)ethanone

Structure

1-(5-bromo-4-chloro-3-hydroxy-1H-indol-1-yl)ethanone
Name: 1-(5-bromo-4-chloro-3-hydroxy-1H-indol-1-yl)ethanone
Synonyms:
General Information
Product Number: 125328769
CAS Registry Number:
125328-76-9
Name:
Ethanone, 1-​(5-​bromo-​4-​chloro-​3-​hydroxy-​1H-​indol-​1-​yl)​-
H-​Indol-​3-​ol, 1-​acetyl-​5-​bromo-​4-​chloro- (9CI) 
 
Chemical Formula: C10H7BrClNO2
Exact Mass: 286.93
Molecular Weight: 288.53
m/z: 288.93 (100.0%), 286.93 (77.4%), 290.93 (24.1%), 289.94 (11.0%), 287.94 (8.5%), 291.93 (2.7%)
Elemental Analysis: C, 41.63; H, 2.45; Br, 27.69; Cl, 12.29; N, 4.85; O, 11.09
 
InChI: InChI=1S/C10H7BrClNO2/c1-5(14)13-4-8(15)9-7(13)3-2-6(11)10(9)12/h2-4,15H,1H3
InChIKey: DQYKDYVAYNNRER-UHFFFAOYSA-N
Canonical SMILES : CC(=O)N1C=C(C2=C1C=CC(=C2Cl)Br)O
 

Specification

98%

References
  1. (1) Holt, S. J.; Journal of the Chemical Society 1958, P1217-23 CAPLUS
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