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CAS Number: 16732-69-7
ethyl 7-bromo-1H-indole-2-carboxylate

Structure

ethyl 7-bromo-1H-indole-2-carboxylate
Name: ethyl 7-bromo-1H-indole-2-carboxylate
Synonyms:
General Information
Product Number: 16732697
CAS Registry Number: 16732-69-7
Name:
        1H-​Indole-​2-​carboxylic acid, 7-​bromo-​, ethyl ester
        Indole-​2-​carboxylic acid, 7-​bromo-​, ethyl ester (6CI,​8CI); 7-​Bromo-​1H-​indole-​2-​carboxylic acid ethyl ester; Ethyl 7-​bromoindol-​2-​carboxylate 
 
Chemical Formula: C11H10BrNO2
Exact Mass: 266.99
Molecular Weight: 268.11
m/z: 266.99 (100.0%), 268.99 (97.7%), 267.99 (12.3%), 269.99 (11.8%), 270.99 (1.1%)
Elemental Analysis: C, 49.28; H, 3.76; Br, 29.80; N, 5.22; O, 11.94
 
InChI: InChI=1S/C11H10BrNO2/c1-2-15-11(14)9-6-7-4-3-5-8(12)10(7)13-9/h3-6,13H,2H2,1H3
InChIKey: FKIRSCKRJJUCNI-UHFFFAOYSA-N
Canonical SMILES : CCOC(=O)C1=CC2=C(N1)C(=CC=C2)Br
 
Thermal Properties Value Condition Note
Melting Point 85-86 °C Solv: ethanol (64-17-5) (2)CAS
Melting Point See full text   (1)CAS

Specification

98%

References
  1. (1) Poriel, Cyril; Journal of Organic Chemistry 2007, V72(8), P2978-2987 CAPLUS
  2. (2) Leggetter, B. E.; Canadian Journal of Chemistry 1960, V38, P1467-71 CAPLUS
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