Cas no 87828-92-0 (1,2-Benzisoxazole, 3-(2,6-dichlorophenyl)-)

1,2-Benzisoxazole, 3-(2,6-dichlorophenyl)- structure
87828-92-0 structure
Product Name:1,2-Benzisoxazole, 3-(2,6-dichlorophenyl)-
CAS No:87828-92-0
MF:C13H7Cl2NO
MW:264.106781244278
CID:651928
PubChem ID:13127039
Update Time:2025-04-19

1,2-Benzisoxazole, 3-(2,6-dichlorophenyl)- Chemical and Physical Properties

Names and Identifiers

    • 1,2-Benzisoxazole, 3-(2,6-dichlorophenyl)-
    • 3-(2,6-dichlorophenyl)-1,2-benzoxazole
    • 3-(2,6-Dichlorophenyl)benzo[d]isoxazole
    • DTXSID00520157
    • 87828-92-0
    • Inchi: 1S/C13H7Cl2NO/c14-9-5-3-6-10(15)12(9)13-8-4-1-2-7-11(8)17-16-13/h1-7H
    • InChI Key: WEETZFYEJCKAFN-UHFFFAOYSA-N
    • SMILES: ClC1C=CC=C(C=1C1C2C=CC=CC=2ON=1)Cl

Computed Properties

  • Exact Mass: 262.9904692g/mol
  • Monoisotopic Mass: 262.9904692g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 1
  • Complexity: 266
  • 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: 4.6
  • Topological Polar Surface Area: 26?2
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