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3-Chloro-beta-Oxo-Benzenepropanenitrile
[CAS# 21667-62-9]

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Identification
Classification Chemical reagent >> Organic reagent >> Cyanide/nitrile
Name 3-Chloro-beta-Oxo-Benzenepropanenitrile
Synonyms 3-(3-Chlorophenyl)-3-Oxo-Propanenitrile; 3-(3-Chlorophenyl)-3-Keto-Propionitrile; Nsc31892
Molecular Structure CAS#: 21667-62-9, 3-Chloro-beta-Oxo-Benzenepropanenitrile
Molecular Formula C9H6ClNO
Molecular Weight 179.61
CAS Registry Number 21667-62-9
SMILES C1=C(C(CC#N)=O)C=CC=C1Cl
InChI 1S/C9H6ClNO/c10-8-3-1-2-7(6-8)9(12)4-5-11/h1-3,6H,4H2
InChIKey IUDFNNHFARLIPF-UHFFFAOYSA-N
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