Cas no 651021-79-3 (Phenol, 4-[5-(3-chlorophenyl)-3-isoxazolyl]-)

Phenol, 4-[5-(3-chlorophenyl)-3-isoxazolyl]- structure
651021-79-3 structure
Product Name:Phenol, 4-[5-(3-chlorophenyl)-3-isoxazolyl]-
CAS No:651021-79-3
MF:C15H10ClNO2
MW:271.698402881622
CID:407902
PubChem ID:135442255
Update Time:2025-04-19

Phenol, 4-[5-(3-chlorophenyl)-3-isoxazolyl]- Chemical and Physical Properties

Names and Identifiers

    • Phenol, 4-[5-(3-chlorophenyl)-3-isoxazolyl]-
    • 4-[5-(3-chlorophenyl)-1,2-oxazol-3-ylidene]cyclohexa-2,5-dien-1-one
    • DTXSID80447373
    • 651021-79-3
    • Inchi: 1S/C15H10ClNO2/c16-12-3-1-2-11(8-12)15-9-14(17-19-15)10-4-6-13(18)7-5-10/h1-9,18H
    • InChI Key: KJRZUFZLXSBADK-UHFFFAOYSA-N
    • SMILES: ClC1=CC=CC(=C1)C1=CC(C2C=CC(=CC=2)O)=NO1

Computed Properties

  • Exact Mass: 271.0401
  • Monoisotopic Mass: 271.0400063g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 19
  • Rotatable Bond Count: 2
  • Complexity: 294
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 4
  • Topological Polar Surface Area: 46.3?2

Experimental Properties

  • PSA: 46.26
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