Cas no 8002-29-7 (1-Hydroxybenzotriazole hydrate)

1-Hydroxybenzotriazole hydrate structure
8002-29-7 structure
Product Name:1-Hydroxybenzotriazole hydrate
CAS No:8002-29-7
MF:C6H7N3O2
MW:153.138680696487
CID:726069
Update Time:2023-08-02

1-Hydroxybenzotriazole hydrate Chemical and Physical Properties

Names and Identifiers

    • Taroils
    • TAR OIL
    • 1-Hydroxybenzotriazole hydrate
    • 1h-1,2,3-benzotriazol-1-ol hydrate
    • 1-hydroxybenzotriazole monohydrate
    • 1h-benzo[d][1,2,3]triazol-1-ol hydrate
    • hobt monohydrate
    • 1H-Benzotriazole, 1-hydroxy-, monohydrate
    • 1-Hydroxybenzotriazolehydrate
    • 1-hydroxybenzotriazole;hydrate
    • HOBt Hydrate
    • 1-hydroxy benzotriazole monohydrate
    • 1H-Benzo[d][1,2,3]triazol-1-ol xhydrate
    • HOBT.H2O
    • n-hydroxybenzotriazole h2o
    • N-Hydroxybenzotriazole hydrate
    • S72K7GY45F
    • 1-Hydroxybenzotriazolemonohydrate
    • Inchi: 1S/C6H5N3O.H2O/c10-9-6-4-2-1-3-5(6)7-8-9;/h1-4,10H;1H2
    • InChI Key: PJUPKRYGDFTMTM-UHFFFAOYSA-N
    • SMILES: ON1C2C=CC=CC=2N=N1.O

Computed Properties

  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 0
  • Complexity: 130
  • Topological Polar Surface Area: 51.9
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