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CAS 845790-57-0

:

ethyl (3-chloro-5-fluorophenyl)(oxo)acetate

Description:
Ethyl (3-chloro-5-fluorophenyl)(oxo)acetate, identified by its CAS number 845790-57-0, is an organic compound characterized by its ester functional group and the presence of halogen substituents on the aromatic ring. This compound features a phenyl group that is substituted with both a chlorine atom at the 3-position and a fluorine atom at the 5-position, contributing to its unique reactivity and potential biological activity. The oxoacetate moiety indicates the presence of a carbonyl group adjacent to an acetate group, which can participate in various chemical reactions, including nucleophilic attacks and condensation reactions. Ethyl (3-chloro-5-fluorophenyl)(oxo)acetate is likely to exhibit moderate polarity due to the electronegative halogens and the ester group, influencing its solubility in organic solvents. Its structural characteristics suggest potential applications in medicinal chemistry, particularly in the development of pharmaceuticals, where halogenated compounds often exhibit enhanced biological properties. Safety and handling precautions should be observed due to the presence of halogens, which can impart toxicity and environmental concerns.
Formula:C10H8ClFO3
InChI:InChI=1/C10H8ClFO3/c1-2-15-10(14)9(13)6-3-7(11)5-8(12)4-6/h3-5H,2H2,1H3
SMILES:CCOC(=O)C(=O)c1cc(cc(c1)F)Cl
Synonyms:
  • Benzeneacetic acid, 3-chloro-5-fluoro-alpha-oxo-, ethyl ester
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