CAS Registry Number: 850349-72-3

Name:

1H-​Indole-​1-​carboxylic acid, 5-​bromo-​3-​iodo-​, 1,​1-​dimethylethyl ester

Chemical Formula: C13H13BrINO2
Exact Mass: 420.92
Molecular Weight: 422.06
m/z: 420.92 (100.0%), 422.92 (98.7%), 421.92 (14.3%), 423.92 (13.9%), 424.92 (1.3%)

InChI: InChI=1S/C13H13BrINO2/c1-13(2,3)18-12(17)16-7-10(15)9-6-8(14)4-5-11(9)16/h4-7H,1-3H3
InChIKey: MCFJOLCLHJYCDS-UHFFFAOYSA-N
Canonical SMILES : CC(C)(C)OC(=O)N1C=C(C2=C1C=CC(=C2)Br)I

Specification

98%

PCT Int. Appl. (2013), WO 2013051672 A1 20130411.

PCT Int. Appl. (2012), WO 2012129338 A1 20120927.