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CAS Number: 101774-27-0
6-bromo-1H-indole-3-carboxylic acid

Structure

6-bromo-1H-indole-3-carboxylic acid
Name: 6-bromo-1H-indole-3-carboxylic acid
Synonyms:
General Information
Product Number: 101774270

CAS Registry Number 101774-27-0
Name:
1H-​Indole-​3-​carboxylic acid, 6-​bromo-
Indole-3-carboxylic acid, 6-bromo- (6CI)
6-Bromo-1H-indole-3-carboxylic acid
6-Bromoindole-3-carboxylic acid

 

Chemical Formula: C9H6BrNO2
Exact Mass: 238.96
Molecular Weight: 240.05
m/z: 238.96 (100.0%), 240.96 (98.1%), 239.96 (10.2%), 241.96 (9.6%)

 

InChI:InChI=1S/C9H6BrNO2/c10-5-1-2-6-7(9(12)13)4-11-8(6)3-5/h1-4,11H,(H,12,13)

InChI Key:INNZWYJJSSRJET-UHFFFAOYSA-N

Canonical SMILES:C1=CC2=C(C=C1Br)NC=C2C(=O)O

Specification

98%

References
  1. (1) Zhao, Jing; Acta Crystallographica, Section E: Structure Reports Online 2012, V68(4), Po1019 CAPLUS
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