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CAS Number: 53491-80-8
1-chloroisoquinoline-4-carbonitrile

Structure

 1-chloroisoquinoline-4-carbonitrile
Name: 1-chloroisoquinoline-4-carbonitrile
Synonyms:
General Information
Product Number: 53491808

CAS Registry Number 53491-80-8
Name:
4-?Isoquinolinecarbonit?rile, 1-?chloro-

 

Chemical Formula: C10H5ClN2
Exact Mass: 188.01
Molecular Weight: 188.61
m/z: 188.01 (100.0%), 190.01 (32.0%), 189.02 (10.9%), 191.01 (3.7%)

 

InChI:InChI=1S/C10H5ClN2/c11-10-9-4-2-1-3-8(9)7(5-12)6-13-10/h1-4,6H

InChI Key:FMQOMPVZLLUVOD-UHFFFAOYSA-N

Canonical SMILES:C1=CC=C2C(=C1)C(=CN=C2Cl)C#N

Specification

98%
References

PCT Int. Appl. (2014), WO 2014094960 A1 20140626.

PCT Int. Appl. (2014), WO 2014008982 A1 20140116.                                 
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