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CAS Number: 28737-33-9
3-bromo-1H-indole-2-carboxylic acid

Structure

3-bromo-1H-indole-2-carboxylic acid
Name: 3-bromo-1H-indole-2-carboxylic acid
Synonyms:
General Information
Product Number: 28737339
CAS Registry Number: 28737-33-9
Name:
        1H-​Indole-​2-​carboxylic acid, 3-​bromo-
        Indole-​2-​carboxylic acid, 3-​bromo- (6CI,​8CI); 3-​Bromo-​1H-​indole-​2-​carboxylic acid; 3-​Bromoindole-​2-​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%)
Elemental Analysis: C, 45.03; H, 2.52; Br, 33.29; N, 5.83; O, 13.33
 
InChI: InChI=1S/C9H6BrNO2/c10-7-5-3-1-2-4-6(5)11-8(7)9(12)13/h1-4,11H,(H,12,13)
InChIKey: KOTZNHLNBDTYMS-UHFFFAOYSA-N
Canonical SMILES : C1=CC=C2C(=C1)C(=C(N2)C(=O)O)Br
 
Thermal Properties Value Condition Note
Melting Point 197 °C (decomp)   (1)CAS
 

Specification

98%

References
  1. (1) Kunori, Masao; Nippon Kagaku Zasshi 1957, V78, P1798-1800 CAPLUS
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