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CAS Number: 79650-11-6
3-(5-chloro-2-fluorophenyl)-3-oxopropanenitrile

Structure

 3-(5-chloro-2-fluorophenyl)-3-oxopropanenitrile
Name: 3-(5-chloro-2-fluorophenyl)-3-oxopropanenitrile
Synonyms:
General Information
Product Number: 79650116

CAS Registry Number 79650-11-6
Name:
Benzenepropanenitril?e, 5-?chloro-?2-?fluoro-?β-?oxo-
5-Chloro-2-fluorobenzoylacetonitrile

 

Chemical Formula: C9H5ClFNO
Exact Mass: 197.00
Molecular Weight: 197.59
m/z: 197.00 (100.0%), 199.00 (32.0%), 198.01 (9.8%), 200.00 (3.2%)

 

InChI:InChI=1S/C9H5ClFNO/c10-6-1-2-8(11)7(5-6)9(13)3-4-12/h1-2,5H,3H2

InChI Key:VANOIBPCHZYGTP-UHFFFAOYSA-N

Canonical SMILES:C1=CC(=C(C=C1Cl)C(=O)CC#N)F

Specification

98%
References

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

Fr. Demande (2011), FR 2951172 A1 20110415.
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