Cas no 90920-49-3 (4-Nitro-1-[(4-nitrophenyl)methyl]-1H-pyrazole)

4-Nitro-1-[(4-nitrophenyl)methyl]-1H-pyrazole structure
90920-49-3 structure
Product Name:4-Nitro-1-[(4-nitrophenyl)methyl]-1H-pyrazole
CAS No:90920-49-3
MF:C10H8N4O4
MW:248.19492149353
MDL:MFCD03165044
CID:4719440
Update Time:2023-08-16

4-Nitro-1-[(4-nitrophenyl)methyl]-1H-pyrazole Chemical and Physical Properties

Names and Identifiers

    • 4-Nitro-1-[(4-nitrophenyl)methyl]-1H-pyrazole
    • 4-Nitro-1-(4-nitrobenzyl)-1H-pyrazole
    • [O-][N+](=O)C1=CN(CC2=CC=C(C=C2)[N+]([O-])=O)N=C1
    • MDL: MFCD03165044
    • Inchi: 1S/C10H8N4O4/c15-13(16)9-3-1-8(2-4-9)6-12-7-10(5-11-12)14(17)18/h1-5,7H,6H2
    • InChI Key: BKXUMOCJRVECDC-UHFFFAOYSA-N
    • SMILES: [O-][N+](C1C=NN(C=1)CC1C=CC(=CC=1)[N+](=O)[O-])=O

Computed Properties

  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 2
  • Complexity: 319
  • Topological Polar Surface Area: 110

4-Nitro-1-[(4-nitrophenyl)methyl]-1H-pyrazole Pricemore >>

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