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CAS Number: 1363508-12-6
2-acetyl-5-chlorobenzonitrile

Structure

2-acetyl-5-chlorobenzonitrile
Name: 2-acetyl-5-chlorobenzonitrile
Synonyms:
General Information
Product Number: 1363508126

CAS Registry Number 1363508-12-6
Name:
Benzonitrile, 2-?acetyl-?5-?chloro-

 

Chemical Formula: C9H6ClNO
Exact Mass: 179.01
Molecular Weight: 179.60
m/z: 179.01 (100.0%), 181.01 (32.0%), 180.02 (9.8%), 182.01 (3.2%)

 

InChI:InChI=1S/C9H6ClNO/c1-6(12)9-3-2-8(10)4-7(9)5-11/h2-4H,1H3

InChI Key:ZZOFPTNNZFMALU-UHFFFAOYSA-N

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

Specification

98%

References

Organic Letters (2012), 14(6), 1444-1447.                                 

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