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CAS 91182-87-5

:

3-(4-Chlorophenyl)-5-methyl-4-isoxazolecarboxylic acid

Description:
3-(4-Chlorophenyl)-5-methyl-4-isoxazolecarboxylic acid, with the CAS number 91182-87-5, is a chemical compound characterized by its isoxazole ring structure, which is a five-membered heterocyclic compound containing both nitrogen and oxygen. This substance features a chlorophenyl group, indicating the presence of a chlorine atom on a phenyl ring, which can influence its biological activity and solubility. The methyl group attached to the isoxazole enhances its lipophilicity, potentially affecting its pharmacokinetic properties. As a carboxylic acid, it possesses acidic properties, allowing it to participate in various chemical reactions, including esterification and salt formation. The compound may exhibit biological activity, making it of interest in medicinal chemistry, particularly in the development of pharmaceuticals. Its specific characteristics, such as melting point, solubility, and reactivity, would depend on the molecular interactions and the environment in which it is studied. Overall, this compound's unique structure contributes to its potential applications in various fields, including drug development and agrochemicals.
Formula:C11H8ClNO3
InChI:InChI=1S/C11H8ClNO3/c1-6-9(11(14)15)10(13-16-6)7-2-4-8(12)5-3-7/h2-5H,1H3,(H,14,15)
InChI key:InChIKey=YFZLFMSGZBNUPJ-UHFFFAOYSA-N
SMILES:C(O)(=O)C=1C(=NOC1C)C2=CC=C(Cl)C=C2
Synonyms:
  • 4-Isoxazolecarboxylic acid, 3-(4-chlorophenyl)-5-methyl-
  • 4-Isoxazolecarboxylic acid, 3-(p-chlorophenyl)-5-methyl-
  • 3-(4-Chlorophenyl)-5-methyl-4-isoxazolecarboxylic acid
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