Cas no 1341704-90-2 (1H-Pyrazole-1-propanal, 4-nitro-)

1H-Pyrazole-1-propanal, 4-nitro- structure
1341704-90-2 structure
Product Name:1H-Pyrazole-1-propanal, 4-nitro-
CAS No:1341704-90-2
MF:C6H7N3O3
MW:169.138080835342
CID:2141636
Update Time:2023-08-04

1H-Pyrazole-1-propanal, 4-nitro- Chemical and Physical Properties

Names and Identifiers

    • 3-(4-nitro-1H-pyrazol-1-yl)propanal
    • 1H-Pyrazole-1-propanal, 4-nitro-
    • WCZFLXCXICISRT-UHFFFAOYSA-N
    • Inchi: 1S/C6H7N3O3/c10-3-1-2-8-5-6(4-7-8)9(11)12/h3-5H,1-2H2
    • InChI Key: WCZFLXCXICISRT-UHFFFAOYSA-N
    • SMILES: O=CCCN1C=C(C=N1)[N+](=O)[O-]

Computed Properties

  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 3
  • Complexity: 179
  • Topological Polar Surface Area: 80.7

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