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CAS Number: 314267-78-2
3-(6-chloropyridin-3-yl)-3-oxopropanenitrile

Structure

 3-(6-chloropyridin-3-yl)-3-oxopropanenitrile
Name: 3-(6-chloropyridin-3-yl)-3-oxopropanenitrile
Synonyms:
General Information
Product Number: 314267782

CAS Registry Number 314267-78-2
Name:
3-?Pyridinepropanenitri?le, 6-?chloro-?β-?oxo-

 

Chemical Formula: C8H5ClN2O
Exact Mass: 180.01
Molecular Weight: 180.59
m/z: 180.01 (100.0%), 182.01 (32.2%), 181.01 (9.4%), 183.01 (2.8%)

 

InChI:InChI=1S/C8H5ClN2O/c9-8-2-1-6(5-11-8)7(12)3-4-10/h1-2,5H,3H2

InChI Key:MYDXNTWVXGABPR-UHFFFAOYSA-N

Canonical SMILES:C1=CC(=NC=C1C(=O)CC#N)Cl

Specification

98%
References

PCT Int. Appl. (2011), WO 2011045344 A1 20110421. 

PCT Int. Appl. (2008), WO 2008071451 A1 20080619.                                 
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