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CAS 1146290-07-4

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3-Fluoro-4-methyl-5-nitrobenzonitrile

Description:
3-Fluoro-4-methyl-5-nitrobenzonitrile is an organic compound characterized by its aromatic structure, which includes a benzene ring substituted with a fluorine atom, a methyl group, and a nitro group, along with a cyano group. The presence of these substituents influences its chemical properties, such as polarity, reactivity, and solubility. The fluorine atom typically enhances the compound's lipophilicity and can affect its electronic properties, while the nitro group is known for its electron-withdrawing characteristics, which can increase the acidity of nearby hydrogen atoms. The cyano group contributes to the compound's overall reactivity and can participate in various chemical reactions, including nucleophilic additions. This compound may be of interest in pharmaceutical and agrochemical research due to its potential biological activity and utility in synthetic pathways. Additionally, its unique combination of functional groups may allow for specific interactions in biological systems, making it a candidate for further investigation in medicinal chemistry.
Formula:C8H5FN2O2
InChI:InChI=1S/C8H5FN2O2/c1-5-7(9)2-6(4-10)3-8(5)11(12)13/h2-3H,1H3
InChI key:InChIKey=PJDMVVSHLAHHEG-UHFFFAOYSA-N
SMILES:N(=O)(=O)C1=C(C)C(F)=CC(C#N)=C1
Synonyms:
  • 3-Fluoro-4-methyl-5-nitrobenzonitrile
  • Benzonitrile, 3-fluoro-4-methyl-5-nitro-
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