Cas no 343868-60-0 (6-Aminobenzo[d]isoxazole-3-carbonitrile)

6-Aminobenzo[d]isoxazole-3-carbonitrile structure
343868-60-0 structure
Product Name:6-Aminobenzo[d]isoxazole-3-carbonitrile
CAS No:343868-60-0
MF:C8H5N3O
MW:159.144800901413
CID:302387
PubChem ID:12783653
Update Time:2024-11-01

6-Aminobenzo[d]isoxazole-3-carbonitrile Chemical and Physical Properties

Names and Identifiers

    • 1,2-Benzisoxazole-3-carbonitrile,6-amino-
    • 1,2-Benzisoxazole-3-carbonitrile,6-amino-(9CI)
    • 6-Aminobenzo[d]isoxazole-3-carbonitrile
    • FCH3622002
    • AX8277880
    • DB-229475
    • 343868-60-0
    • 6-Amino-1,2-benzoxazole-3-carbonitrile
    • Inchi: 1S/C8H5N3O/c9-4-7-6-2-1-5(10)3-8(6)12-11-7/h1-3H,10H2
    • InChI Key: CNJGQMHZJZSYLL-UHFFFAOYSA-N
    • SMILES: O1C2C=C(C=CC=2C(C#N)=N1)N

Computed Properties

  • Exact Mass: 159.043261791g/mol
  • Monoisotopic Mass: 159.043261791g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 0
  • Complexity: 222
  • 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
  • Topological Polar Surface Area: 75.8
  • XLogP3: 1.1

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