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CAS 69316-10-5

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5-Chloro-2-methoxy-β-oxobenzenepropanenitrile

Description:
5-Chloro-2-methoxy-β-oxobenzenepropanenitrile, with the CAS number 69316-10-5, is an organic compound characterized by its complex structure, which includes a chloro group, a methoxy group, and a nitrile functional group. This compound typically appears as a solid or crystalline substance and is known for its potential applications in pharmaceuticals and organic synthesis. The presence of the chloro and methoxy substituents can influence its reactivity and solubility, making it a subject of interest in medicinal chemistry. The nitrile group contributes to its polarity and can participate in various chemical reactions, such as nucleophilic additions. Additionally, the β-oxo structure suggests that it may exhibit keto-enol tautomerism, which can affect its stability and reactivity. Overall, this compound's unique functional groups and structural features make it valuable for research and development in various chemical applications.
Formula:C10H8ClNO2
InChI:InChI=1S/C10H8ClNO2/c1-14-10-3-2-7(11)6-8(10)9(13)4-5-12/h2-3,6H,4H2,1H3
InChI key:InChIKey=WMQXIOXLDHJGBJ-UHFFFAOYSA-N
SMILES:C(CC#N)(=O)C1=C(OC)C=CC(Cl)=C1
Synonyms:
  • Benzenepropanenitrile, 5-chloro-2-methoxy-β-oxo-
  • 5-Chloro-2-methoxy-β-oxobenzenepropanenitrile
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