Cas no 63770-51-4 (1,2-BENZISOXAZOLE, 3,6-DIMETHYL-5-NITRO-)

1,2-BENZISOXAZOLE, 3,6-DIMETHYL-5-NITRO- structure
63770-51-4 structure
Product Name:1,2-BENZISOXAZOLE, 3,6-DIMETHYL-5-NITRO-
CAS No:63770-51-4
MF:C9H8N2O3
MW:192.1714220047
CID:3180105
PubChem ID:12411321
Update Time:2025-04-21

1,2-BENZISOXAZOLE, 3,6-DIMETHYL-5-NITRO- Chemical and Physical Properties

Names and Identifiers

    • 1,2-BENZISOXAZOLE, 3,6-DIMETHYL-5-NITRO-
    • 3,6-Dimethyl-5-nitrobenzo[d]isoxazole
    • 63770-51-4
    • SY298837
    • 3,6-Dimethyl-5-nitrobenzisoxazole
    • Inchi: 1S/C9H8N2O3/c1-5-3-9-7(6(2)10-14-9)4-8(5)11(12)13/h3-4H,1-2H3
    • InChI Key: PRFLEULYCUOJCH-UHFFFAOYSA-N
    • SMILES: O1C2C=C(C)C(=CC=2C(C)=N1)[N+](=O)[O-]

Computed Properties

  • Exact Mass: 192.05349212Da
  • Monoisotopic Mass: 192.05349212Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 0
  • Complexity: 241
  • 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: 2.3
  • Topological Polar Surface Area: 71.9?2
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