Cas no 27225-59-8 (1H-Indazole,6-nitro-1-[(4-nitrophenoxy)methyl]-)

1H-Indazole,6-nitro-1-[(4-nitrophenoxy)methyl]- structure
27225-59-8 structure
Product Name:1H-Indazole,6-nitro-1-[(4-nitrophenoxy)methyl]-
CAS No:27225-59-8
MF:C14H10N4O5
MW:314.253002643585
CID:272160
PubChem ID:267982
Update Time:2025-04-19

1H-Indazole,6-nitro-1-[(4-nitrophenoxy)methyl]- Chemical and Physical Properties

Names and Identifiers

    • 1H-Indazole,6-nitro-1-[(4-nitrophenoxy)methyl]-
    • 6-nitro-1-[(4-nitrophenoxy)methyl]indazole
    • 6-nitro-1-[(4-nitrophenoxy)methyl]-1h-indazole
    • AC1L6JAA
    • AC1Q21HD
    • AG-J-47098
    • AR-1H2376
    • CTK4F9294
    • NSC107947
    • NSC-107947
    • 27225-59-8
    • DTXSID80296141
    • Inchi： 1S/C14H10N4O5/c19-17(20)11-3-5-13(6-4-11)23-9-16-14-7-12(18(21)22)2-1-10(14)8-15-16/h1-8H,9H2
    • InChI Key： WWTCHNPVAJPVJB-UHFFFAOYSA-N
    • SMILES： O(C1C=CC(=CC=1)[N+](=O)[O-])CN1C2C=C(C=CC=2C=N1)[N+](=O)[O-]

Computed Properties

  • Exact Mass: 314.0652
  • Monoisotopic Mass: 314.065
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 23
  • Rotatable Bond Count: 3
  • Complexity: 443
  • 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: 3.5
  • Topological Polar Surface Area: 119?2

Experimental Properties

  • Density: 1.53
  • Boiling Point: 560.4°C at 760 mmHg
  • Flash Point: 292.7°C
  • Refractive Index: 1.698
  • PSA: 113.33

1H-Indazole,6-nitro-1-[(4-nitrophenoxy)methyl]- Related Literature

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