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CAS 179064-49-4

:

1-(2-Fluorophenyl)-4-oxocyclohexanecarboxylic acid

Description:
1-(2-Fluorophenyl)-4-oxocyclohexanecarboxylic acid, identified by its CAS number 179064-49-4, is a chemical compound that features a cyclohexane ring substituted with a carboxylic acid and a fluorophenyl group. This compound typically exhibits characteristics common to both aromatic and aliphatic compounds, including potential for hydrogen bonding due to the carboxylic acid functional group. The presence of the fluorine atom can influence the compound's reactivity and polarity, potentially enhancing its lipophilicity and affecting its biological activity. The oxo group (carbonyl) contributes to the compound's acidity and can participate in various chemical reactions, such as nucleophilic additions. This compound may be of interest in medicinal chemistry and material science due to its unique structural features, which could lead to specific interactions with biological targets or applications in synthesis. Overall, its properties make it a candidate for further research in various chemical and pharmaceutical contexts.
Formula:C13H13FO3
InChI:InChI=1S/C13H13FO3/c14-11-4-2-1-3-10(11)13(12(16)17)7-5-9(15)6-8-13/h1-4H,5-8H2,(H,16,17)
InChI key:InChIKey=ZSHLDJCZQFHYBA-UHFFFAOYSA-N
SMILES:C(O)(=O)C1(CCC(=O)CC1)C2=C(F)C=CC=C2
Synonyms:
  • Cyclohexanecarboxylic acid, 1-(2-fluorophenyl)-4-oxo-
  • 1-(2-Fluorophenyl)-4-oxocyclohexanecarboxylic acid
  • 1-(2-Fluorophenyl)-4-oxocyclohexane-1-carboxylic acid
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