Cas no 17582-94-4 (2H-Indazole, 2-(1,1-dimethylethyl)-)

2H-Indazole, 2-(1,1-dimethylethyl)- structure
17582-94-4 structure
Product Name:2H-Indazole, 2-(1,1-dimethylethyl)-
CAS No:17582-94-4
MF:C11H14N2
MW:174.242262363434
CID:1362352
PubChem ID:55250777
Update Time:2025-04-20

2H-Indazole, 2-(1,1-dimethylethyl)- Chemical and Physical Properties

Names and Identifiers

    • 2H-Indazole, 2-(1,1-dimethylethyl)-
    • F97104
    • AKOS006279755
    • 17582-94-4
    • SCHEMBL13684173
    • 2-(tert-butyl)-2H-indazole
    • Inchi: 1S/C11H14N2/c1-11(2,3)13-8-9-6-4-5-7-10(9)12-13/h4-8H,1-3H3
    • InChI Key: QXXLFRCAOVPYEL-UHFFFAOYSA-N
    • SMILES: N1(C=C2C=CC=CC2=N1)C(C)(C)C

Computed Properties

  • Exact Mass: 174.11582
  • Monoisotopic Mass: 174.115698455g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 1
  • Complexity: 183
  • 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: 2.5
  • Topological Polar Surface Area: 17.8?2

Experimental Properties

  • PSA: 17.82
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