CAS Registry Number: 17514-70-4

Name:

Benzo[b]​thiophene, 7-​bromo-​3-​methyl-
7-​Bromo-​3-​methylbenzo[b]​thiophene 

Chemical Formula: C9H7BrS
Exact Mass: 225.95
Molecular Weight: 227.12
m/z: 227.94 (100.0%), 225.95 (98.2%), 226.95 (9.6%), 228.95 (9.4%), 229.94 (4.3%), 228.94 (1.2%)

InChI: InChI=1S/C9H7BrS/c1-6-5-11-9-7(6)3-2-4-8(9)10/h2-5H,1H3
InChIKey: ZECXKOZLYDEAIE-UHFFFAOYSA-N
Canonical SMILES : CC1=CSC2=C1C=CC=C2Br

Specification

98%

1. (1) Matsuki, Yasuo; Nippon Kagaku Zasshi 1967, V88(7), P758-63 CAPLUS