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CAS Number: 323580-68-3
tert-butyl 6-chloro-1H-indole-1-carboxylate

Structure

 tert-butyl 6-chloro-1H-indole-1-carboxylate
Name: tert-butyl 6-chloro-1H-indole-1-carboxylate
Synonyms:
General Information
Product Number: 323580683

CAS Registry Number 323580-68-3
Name:
1H-​Indole-​1-​carboxylic acid, 6-​chloro-​, 1,​1-​dimethylethyl ester
6-Chloroindole-1-carboxylic acid tert-butyl ester

 

Chemical Formula: C13H14ClNO2
Exact Mass: 251.07
Molecular Weight: 251.71
m/z: 251.07 (100.0%), 253.07 (32.0%), 252.07 (14.4%), 254.07 (4.7%), 253.08 (1.4%)

 

InChI:InChI=1S/C13H14ClNO2/c1-13(2,3)17-12(16)15-7-6-9-4-5-10(14)8-11(9)15/h4-8H,1-3H3

InChI Key:UEXNCLFRKGJYDV-UHFFFAOYSA-N

Canonical SMILES:CC(C)(C)OC(=O)N1C=CC2=C1C=C(C=C2)Cl

Specification

98%
References
  1. (1) Kirchberg, Sylvia; Angewandte Chemie, International Edition 2009, V48(23), P4235-4238, S4235/1-S4235/38 CAPLUS
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