CAS 898750-25-9

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

Description:

3-[3-(3-chloro-5-fluoro-phenyl)propanoyl]benzonitrile, with the CAS number 898750-25-9, is a synthetic organic compound characterized by its complex molecular structure, which 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 common to aromatic nitriles, such as moderate solubility in organic solvents and potential reactivity due to the presence of the nitrile functional group. The chloro and fluoro substituents can influence its electronic properties, potentially enhancing its reactivity and biological activity. The presence of these halogens may also affect the compound's lipophilicity, making it suitable for various applications in medicinal chemistry and material science. Additionally, the compound's structure suggests potential for interactions with biological targets, which could be explored in drug development. Overall, this compound represents a class of molecules that may have significant implications in pharmaceutical research and development.

Formula: C₁₆H₁₁ClFNO

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

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