Cas no 108372-40-3 (4-nitro-1-[2-(4-nitropyrazol-1-yl)ethyl]pyrazole)

4-nitro-1-[2-(4-nitropyrazol-1-yl)ethyl]pyrazole structure
108372-40-3 structure
Product Name:4-nitro-1-[2-(4-nitropyrazol-1-yl)ethyl]pyrazole
CAS No:108372-40-3
MF:C8H8N6O4
MW:252.186920166016
CID:1185441
PubChem ID:14195552
Update Time:2025-04-20

4-nitro-1-[2-(4-nitropyrazol-1-yl)ethyl]pyrazole Chemical and Physical Properties

Names and Identifiers

    • 4-nitro-1-[2-(4-nitropyrazol-1-yl)ethyl]pyrazole
    • CTK0D6351
    • 1,2-Bis-&lt
    • 4-nitro-pyrazol-1-yl&gt
    • -ethan
    • 1H-Pyrazole, 1,1'-(1,2-ethanediyl)bis[4-nitro-
    • AGN-PC-000O87
    • 4,4'-dinitro-1H,1'H-1,1'-ethane-1,2-diyl-bis-pyrazole
    • ACMC-20mbhy
    • 1,2-bis(4-nitropyrazol-1-yl)ethane
    • CTK0D6351; 1,2-Bis-< 4-nitro-pyrazol-1-yl> -ethan; 1H-Pyrazole, 1,1'-(1,2-ethanediyl)bis[4-nitro-; AGN-PC-000O87; 4,4'-dinitro-1H,1'H-1,1'-ethane-1,2-diyl-bis-pyrazole; ACMC-20mbhy; 1,2-bis(4-nitropyrazol-1-yl)ethane;
    • DTXSID50557211
    • 1,1'-(Ethane-1,2-diyl)bis(4-nitro-1H-pyrazole)
    • 108372-40-3
    • Inchi: 1S/C8H8N6O4/c15-13(16)7-3-9-11(5-7)1-2-12-6-8(4-10-12)14(17)18/h3-6H,1-2H2
    • InChI Key: PAGROWVTOJDKHF-UHFFFAOYSA-N
    • SMILES: [O-][N+](C1C=NN(C=1)CCN1C=C(C=N1)[N+](=O)[O-])=O

Computed Properties

  • Exact Mass: 252.06084
  • Monoisotopic Mass: 252.06070276g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 3
  • Complexity: 297
  • 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: -0.2
  • Topological Polar Surface Area: 127?2

Experimental Properties

  • PSA: 121.92
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