Cas no 1383706-61-3 (1H-Indazole, 3-ethynyl-6-methyl-)

1H-Indazole, 3-ethynyl-6-methyl- structure
1383706-61-3 structure
Product Name:1H-Indazole, 3-ethynyl-6-methyl-
CAS No:1383706-61-3
MF:C10H8N2
MW:156.183921813965
CID:2123122
Update Time:2023-08-04

1H-Indazole, 3-ethynyl-6-methyl- Chemical and Physical Properties

Names and Identifiers

    • 3-ethynyl-6-methyl-1H-indazole
    • 1H-Indazole, 3-ethynyl-6-methyl-
    • Inchi: 1S/C10H8N2/c1-3-9-8-5-4-7(2)6-10(8)12-11-9/h1,4-6H,2H3,(H,11,12)
    • InChI Key: UBNAORJFXBOSFM-UHFFFAOYSA-N
    • SMILES: N1C(C#C)=C2C=CC(C)=CC2=N1

Computed Properties

  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 1
  • Complexity: 215
  • Topological Polar Surface Area: 28.7
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