Cas no 89612-24-8 (1,2,4-Oxadiazole, 3-(4-bromo-2,6-dimethylphenyl)-5-ethyl-)

1,2,4-Oxadiazole, 3-(4-bromo-2,6-dimethylphenyl)-5-ethyl- structure
89612-24-8 structure
Product Name:1,2,4-Oxadiazole, 3-(4-bromo-2,6-dimethylphenyl)-5-ethyl-
CAS No:89612-24-8
MF:C12H13BrN2O
MW:281.148422002792
CID:594785
PubChem ID:13237466
Update Time:2025-04-19

1,2,4-Oxadiazole, 3-(4-bromo-2,6-dimethylphenyl)-5-ethyl- Chemical and Physical Properties

Names and Identifiers

    • 1,2,4-Oxadiazole, 3-(4-bromo-2,6-dimethylphenyl)-5-ethyl-
    • 3-(4-bromo-2,6-dimethylphenyl)-5-ethyl-1,2,4-oxadiazole
    • 89612-24-8
    • DTXSID60530974
    • Inchi: 1S/C12H13BrN2O/c1-4-10-14-12(15-16-10)11-7(2)5-9(13)6-8(11)3/h5-6H,4H2,1-3H3
    • InChI Key: ONJBHMJCHZXLFS-UHFFFAOYSA-N
    • SMILES: BrC1C=C(C)C(C2=NOC(CC)=N2)=C(C)C=1

Computed Properties

  • Exact Mass: 280.02113g/mol
  • Monoisotopic Mass: 280.02113g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 2
  • Complexity: 227
  • 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: 4.1
  • Topological Polar Surface Area: 38.9?2
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