Cas no 131074-12-9 (3-(Hydrazinylmethyl)benzo[d]isoxazole)

3-(Hydrazinylmethyl)benzo[d]isoxazole structure
131074-12-9 structure
Product Name:3-(Hydrazinylmethyl)benzo[d]isoxazole
CAS No:131074-12-9
MF:C8H9N3O
MW:163.176561117172
CID:898493
Update Time:2023-08-02

3-(Hydrazinylmethyl)benzo[d]isoxazole Chemical and Physical Properties

Names and Identifiers

    • 1,2-Benzisoxazole,3-(hydrazinomethyl)-(9CI)
    • 3-(hydrazinylmethyl)benzo[d]isoxazole
    • 3-(Hydrazinylmethyl)benzo[d]isoxazole
    • Inchi: 1S/C8H9N3O/c9-10-5-7-6-3-1-2-4-8(6)12-11-7/h1-4,10H,5,9H2
    • InChI Key: VJGCLCYYNKBLGE-UHFFFAOYSA-N
    • SMILES: O1C2C=CC=CC=2C(CNN)=N1

Computed Properties

  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 2
  • Complexity: 153
  • Topological Polar Surface Area: 64.099
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