CAS Registry Number: 597545-16-9

Name: 

Benzene, 4-​bromo-​2-​isothiocyanato-​1-​methoxy-
4-​Bromo-​2-​isothiocyanato-​1-​methoxybenzene 

Chemical Formula: C8H6BrNOS
Exact Mass: 242.94
Molecular Weight: 244.11
m/z: 244.93 (100.0%), 242.94 (98.2%), 243.94 (8.6%), 245.94 (8.4%), 246.93 (4.4%), 245.93 (1.5%), 243.93 (1.1%)

InChI: InChI=1S/C8H6BrNOS/c1-11-8-3-2-6(9)4-7(8)10-5-12/h2-4H,1H3
InChIKey: ASTHFAKKJWNEST-UHFFFAOYSA-N
Canonical SMILES : COC1=C(C=C(C=C1)Br)N=C=S

Specification

98%

PCT Int. Appl. (2012), WO 2012162468 A1 20121129.                                 

PCT Int. Appl. (2012), WO 2012068209 A2 20120524.