Cas no 920504-13-8 (Benzene, 1,2-diiodo-4-(2-methylpropoxy)-5-nitro-)

Benzene, 1,2-diiodo-4-(2-methylpropoxy)-5-nitro- structure
920504-13-8 structure
Product Name:Benzene, 1,2-diiodo-4-(2-methylpropoxy)-5-nitro-
CAS No:920504-13-8
MF:C10H11I2NO3
MW:447.008187532425
CID:756689
PubChem ID:71424118
Update Time:2025-04-19

Benzene, 1,2-diiodo-4-(2-methylpropoxy)-5-nitro- Chemical and Physical Properties

Names and Identifiers

    • Benzene, 1,2-diiodo-4-(2-methylpropoxy)-5-nitro-
    • 1,2-diiodo-4-(2-methylpropoxy)-5-nitrobenzene
    • 920504-13-8
    • DTXSID40842921
    • Inchi: 1S/C10H11I2NO3/c1-6(2)5-16-10-4-8(12)7(11)3-9(10)13(14)15/h3-4,6H,5H2,1-2H3
    • InChI Key: BOWKCTUNDCBVSX-UHFFFAOYSA-N
    • SMILES: IC1C(=CC(=C(C=1)OCC(C)C)[N+](=O)[O-])I

Computed Properties

  • Exact Mass: 446.88284g/mol
  • Monoisotopic Mass: 446.88284g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 3
  • Complexity: 245
  • 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: 4.4
  • Topological Polar Surface Area: 55?2
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