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CAS 898777-72-5

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3-[3-(3,4,5-trifluorophenyl)propanoyl]benzonitrile

Description:
3-[3-(3,4,5-trifluorophenyl)propanoyl]benzonitrile, with the CAS number 898777-72-5, is a synthetic organic compound characterized by its complex structure, which includes a benzonitrile moiety and a propanoyl group substituted with a trifluorophenyl group. This compound typically exhibits properties associated with aromatic compounds, such as stability and potential for pi-stacking interactions due to its conjugated system. The presence of trifluoromethyl groups can enhance lipophilicity and influence the compound's reactivity and biological activity, making it of interest in medicinal chemistry and material science. Additionally, the nitrile functional group contributes to its polarity and can participate in hydrogen bonding interactions. The compound's synthesis and characterization may involve standard organic chemistry techniques, including NMR, IR spectroscopy, and mass spectrometry, to confirm its structure and purity. Overall, this compound's unique characteristics make it a valuable candidate for research in various chemical applications, particularly in drug development and agrochemicals.
Formula:C16H10F3NO
InChI:InChI=1/C16H10F3NO/c17-13-7-10(8-14(18)16(13)19)4-5-15(21)12-3-1-2-11(6-12)9-20/h1-3,6-8H,4-5H2
SMILES:c1cc(cc(c1)C(=O)CCc1cc(c(c(c1)F)F)F)C#N
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