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CAS Number: 1034690-30-6
3-chloro-1H-indole-5-carbonitrile

Structure

 3-chloro-1H-indole-5-carbonitrile
Name: 3-chloro-1H-indole-5-carbonitrile
Synonyms:
General Information
Product Number: 1034690306

CAS Registry Number 1034690-30-6
Name:
1H-?Indole-?5-?carbonitrile, 3-?chloro-

 

Chemical Formula: C9H5ClN2
Exact Mass: 176.01
Molecular Weight: 176.60
m/z: 176.01 (100.0%), 178.01 (32.0%), 177.02 (9.8%), 179.01 (3.3%)

 

InChI:InChI=1S/C9H5ClN2/c10-8-5-12-9-2-1-6(4-11)3-7(8)9/h1-3,5,12H

InChI Key:FFWYOXSEMHRRRB-UHFFFAOYSA-N

Canonical SMILES:C1=CC2=C(C=C1C#N)C(=CN2)Cl

Specification

98%
References

PCT Int. Appl. (2010), WO 2010047990 A1 20100429. 

PCT Int. Appl. (2008), WO 2008074821 A1 20080626.
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