Cas no 939756-08-8 (Benzonitrile, 4-[(5-amino-1H-indazol-1-yl)methyl]-)

Benzonitrile, 4-[(5-amino-1H-indazol-1-yl)methyl]- structure
939756-08-8 structure
Product Name:Benzonitrile, 4-[(5-amino-1H-indazol-1-yl)methyl]-
CAS No:939756-08-8
MF:C15H12N4
MW:248.28258228302
CID:1000422
PubChem ID:16244187
Update Time:2025-04-20

Benzonitrile, 4-[(5-amino-1H-indazol-1-yl)methyl]- Chemical and Physical Properties

Names and Identifiers

    • Benzonitrile, 4-[(5-amino-1H-indazol-1-yl)methyl]-
    • 939756-08-8
    • benzonitrile,4-[(5-amino-1h-indazol-1-yl)methyl]-
    • 4-[(5-amino-1H-indazol-1-yl)methyl]benzonitrile
    • 4-((5-Amino-1H-indazol-1-yl)methyl)benzonitrile
    • MDL: MFCD09026356
    • Inchi: 1S/C15H12N4/c16-8-11-1-3-12(4-2-11)10-19-15-6-5-14(17)7-13(15)9-18-19/h1-7,9H,10,17H2
    • InChI Key: JIZLPQGHKWANNI-UHFFFAOYSA-N
    • SMILES: N1(CC2C=CC(C#N)=CC=2)C2C=CC(=CC=2C=N1)N

Computed Properties

  • Exact Mass: 248.10600
  • Monoisotopic Mass: 248.106196400g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 19
  • Rotatable Bond Count: 2
  • Complexity: 352
  • 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: 2.2
  • Topological Polar Surface Area: 67.6?2

Experimental Properties

  • PSA: 67.63000
  • LogP: 3.11968

Benzonitrile, 4-[(5-amino-1H-indazol-1-yl)methyl]- Pricemore >>

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