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CAS Number: 630422-06-9
1-chloroisoquinoline-3-carbonitrile

Structure

1-chloroisoquinoline-3-carbonitrile
Name: 1-chloroisoquinoline-3-carbonitrile
Synonyms:
General Information
Product Number: 630422069
CAS Registry Number: 630422-06-9
Name:
        3-​Isoquinolinecarbonit​rile, 1-​chloro-
        1-​Chloro-​3-​cyanoisoquinoline 
 
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%)
Elemental Analysis: C, 63.68; H, 2.67; Cl, 18.80; N, 14.85
 
InChI: InChI=1S/C10H5ClN2/c11-10-9-4-2-1-3-7(9)5-8(6-12)13-10/h1-5H
InChIKey: PEELFWZCBLBEET-UHFFFAOYSA-N
Canonical SMILES : C1=CC=C2C(=C1)C=C(N=C2Cl)C#N

Specification

98%

References
  1. (1) Wang, Xiangdong Alan; WO 2003099274 A1 2003 CAPLUS
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