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CAS 81282-13-5

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5-(4-Chlorophenyl)-3-isoxazolemethanol

Description:
5-(4-Chlorophenyl)-3-isoxazolemethanol, identified by its CAS number 81282-13-5, is a chemical compound characterized by its isoxazole ring structure, which is a five-membered heterocyclic compound containing both nitrogen and oxygen. The presence of the 4-chlorophenyl group indicates that there is a chlorine atom substituted on a phenyl ring, contributing to the compound's unique properties, such as potential biological activity. This compound is typically a solid at room temperature and may exhibit moderate solubility in organic solvents. Its functional groups suggest it may participate in hydrogen bonding, influencing its reactivity and interactions with other molecules. The isoxazole moiety is often associated with various pharmacological activities, making this compound of interest in medicinal chemistry. Additionally, the chlorophenyl substitution can enhance lipophilicity, potentially affecting its bioavailability and pharmacokinetics. Overall, 5-(4-Chlorophenyl)-3-isoxazolemethanol is a compound with notable structural features that may lend itself to various applications in research and development.
Formula:C10H8ClNO2
InChI:InChI=1S/C10H8ClNO2/c11-8-3-1-7(2-4-8)10-5-9(6-13)12-14-10/h1-5,13H,6H2
InChI key:InChIKey=WTWQKJNNBWALNH-UHFFFAOYSA-N
SMILES:C(O)C=1C=C(ON1)C2=CC=C(Cl)C=C2
Synonyms:
  • [5-(4-Chlorophenyl)-1,2-oxazol-3-yl]methanol
  • 5-(4-Chlorophenyl)-3-isoxazolemethanol
  • [5-(4-Chloro-phenyl)-isoxazol-3-yl]-methanol
  • 3-Isoxazolemethanol, 5-(4-chlorophenyl)-
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