CAS 898750-28-2

4-[3-(3-chloro-5-fluoro-phenyl)propanoyl]benzonitrile

Description:

4-[3-(3-Chloro-5-fluoro-phenyl)propanoyl]benzonitrile, with the CAS number 898750-28-2, is an organic compound characterized by its complex structure that includes a benzonitrile moiety and a propanoyl group substituted with a chloro and a fluoro group on the phenyl ring. This compound typically exhibits properties such as moderate solubility in organic solvents and potential reactivity due to the presence of the nitrile functional group, which can participate in various chemical reactions. The chloro and fluoro substituents can influence the compound's electronic properties, potentially affecting its reactivity and interactions with biological targets. Such compounds are often of interest in medicinal chemistry and material science due to their potential applications in drug development and as intermediates in synthetic pathways. The presence of halogens can also enhance lipophilicity, which may influence pharmacokinetic properties. Overall, this compound represents a class of substituted benzonitriles that may exhibit unique chemical behavior and biological activity.

Formula: C₁₆H₁₁ClFNO

InChI: InChI=1/C16H11ClFNO/c17-14-7-12(8-15(18)9-14)3-6-16(20)13-4-1-11(10-19)2-5-13/h1-2,4-5,7-9H,3,6H2

SMILES: c1cc(ccc1C#N)C(=O)CCc1cc(cc(c1)F)Cl