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CAS Number: 1192814-98-4
6-bromo-3-isothiocyanatoisoquinoline

Structure

 6-bromo-3-isothiocyanatoisoquinoline
Name: 6-bromo-3-isothiocyanatoisoquinoline
Synonyms:
General Information
Product Number: 1192814984

CAS Registry Number 1192814-98-4
Name:
Isoquinoline, 6-?bromo-?3-?isothiocyanato-

 

Chemical Formula: C10H5BrN2S
Exact Mass: 263.94
Molecular Weight: 265.13
m/z: 265.93 (100.0%), 263.94 (98.2%), 264.94 (11.5%), 266.94 (10.4%), 267.93 (4.4%), 266.93 (2.0%)

 

InChI:InChI=1S/C10H5BrN2S/c11-9-2-1-7-5-12-10(13-6-14)4-8(7)3-9/h1-5H

InChI Key:IKJPWKKDLNSXGW-UHFFFAOYSA-N

Canonical SMILES:C1=CC2=CN=C(C=C2C=C1Br)N=C=S

Specification

98%
References

PCT Int. Appl. (2009), WO 2009131926 A1 20091029.

U.S. Pat. Appl. Publ. (2010), US 20100099684 A1 20100422.
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