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CAS 898788-91-5

:

Ethyl 3-[3-(3-fluorophenyl)-1-oxopropyl]benzoate

Description:
Ethyl 3-[3-(3-fluorophenyl)-1-oxopropyl]benzoate, identified by its CAS number 898788-91-5, is an organic compound characterized by its ester functional group, which is derived from benzoic acid and ethanol. This compound features a complex structure that includes a benzoate moiety and a propyl chain substituted with a fluorophenyl group, contributing to its potential biological activity. The presence of the fluorine atom can enhance lipophilicity and influence the compound's reactivity and interaction with biological targets. Ethyl 3-[3-(3-fluorophenyl)-1-oxopropyl]benzoate may exhibit properties such as moderate solubility in organic solvents and limited solubility in water, typical for many esters. Its molecular structure suggests potential applications in pharmaceuticals, particularly in drug design, where modifications to the aromatic and aliphatic components can lead to variations in pharmacological properties. As with many chemical substances, safety data and handling precautions should be consulted to ensure proper usage and minimize risks associated with exposure.
Formula:C18H17FO3
InChI:InChI=1S/C18H17FO3/c1-2-22-18(21)15-7-4-6-14(12-15)17(20)10-9-13-5-3-8-16(19)11-13/h3-8,11-12H,2,9-10H2,1H3
InChI key:InChIKey=GHIYCBWBXYITQU-UHFFFAOYSA-N
SMILES:C(CCC1=CC(F)=CC=C1)(=O)C2=CC(C(OCC)=O)=CC=C2
Synonyms:
  • Ethyl 3-[3-(3-fluorophenyl)-1-oxopropyl]benzoate
  • Benzoic acid, 3-[3-(3-fluorophenyl)-1-oxopropyl]-, ethyl ester
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