CAS Registry Number: 773873-77-1

Name:

1H-​Indole-​3-​carboxylic acid, 5-​bromo-​, methyl ester
5-​Bromo-​1H-​indole-​3-​carboxylic acid methyl ester; 5-​Bromoindole-​3-​carboxylic acid methyl ester 

Chemical Formula: C10H8BrNO2
Exact Mass: 252.97
Molecular Weight: 254.08
m/z: 252.97 (100.0%), 254.97 (97.3%), 253.98 (11.0%), 255.98 (10.7%)

InChI: InChI=1S/C10H8BrNO2/c1-14-10(13)8-5-12-9-3-2-6(11)4-7(8)9/h2-5,12H,1H3
InChIKey: MFOKOKHNSVUKON-UHFFFAOYSA-N
Canonical SMILES : COC(=O)C1=CNC2=C1C=C(C=C2)Br

Specification

98%

(1) Linton, Elizabeth C.; Journal of the American Chemical Society 2008, V130(48), P16162-16163 CAPLUS