Cas no 53573-21-0 (Isoxazole, 3-(4-bromophenyl)-5-phenyl-)

Isoxazole, 3-(4-bromophenyl)-5-phenyl- structure
53573-21-0 structure
Product Name:Isoxazole, 3-(4-bromophenyl)-5-phenyl-
CAS No:53573-21-0
MF:C15H10BrNO
MW:300.15000295639
CID:356953
PubChem ID:14638116
Update Time:2025-04-19

Isoxazole, 3-(4-bromophenyl)-5-phenyl- Chemical and Physical Properties

Names and Identifiers

    • Isoxazole, 3-(4-bromophenyl)-5-phenyl-
    • 3-(4-bromophenyl)-5-phenyl-1,2-oxazole
    • 3-(4-Bromophenyl)-5-phenylisoxazole
    • 53573-21-0
    • 3-(4'-Bromophenyl)-5-phenylisoxazole
    • tert-butyl3,4-dihydropyrrolo[1,2-a]pyrazine-2(1H)-carboxylate
    • DTXSID60562432
    • Inchi: 1S/C15H10BrNO/c16-13-8-6-11(7-9-13)14-10-15(18-17-14)12-4-2-1-3-5-12/h1-10H
    • InChI Key: ZSAOMNBDJZUSKP-UHFFFAOYSA-N
    • SMILES: BrC1C=CC(=CC=1)C1C=C(C2C=CC=CC=2)ON=1

Computed Properties

  • Exact Mass: 298.9946
  • Monoisotopic Mass: 298.99458g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 2
  • Complexity: 259
  • 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: 4.4
  • Topological Polar Surface Area: 26?2

Experimental Properties

  • PSA: 26.03
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