Cas no 89563-22-4 (Benzene, 1-iodo-3,5-dinitro-2-phenoxy-)

Benzene, 1-iodo-3,5-dinitro-2-phenoxy- structure
89563-22-4 structure
Product Name:Benzene, 1-iodo-3,5-dinitro-2-phenoxy-
CAS No:89563-22-4
MF:C12H7IN2O5
MW:386.098855257034
CID:596529
PubChem ID:1820001
Update Time:2025-04-19

Benzene, 1-iodo-3,5-dinitro-2-phenoxy- Chemical and Physical Properties

Names and Identifiers

    • Benzene, 1-iodo-3,5-dinitro-2-phenoxy-
    • 1-iodo-3,5-dinitro-2-phenoxybenzene
    • 89563-22-4
    • DTXSID80365306
    • AP-915/40882328
    • Inchi: 1S/C12H7IN2O5/c13-10-6-8(14(16)17)7-11(15(18)19)12(10)20-9-4-2-1-3-5-9/h1-7H
    • InChI Key: VDTKZNVXBILUPJ-UHFFFAOYSA-N
    • SMILES: IC1=CC(=CC(=C1OC1C=CC=CC=1)[N+](=O)[O-])[N+](=O)[O-]

Computed Properties

  • Exact Mass: 385.93997g/mol
  • Monoisotopic Mass: 385.93997g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 20
  • Rotatable Bond Count: 2
  • Complexity: 364
  • 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: 3.8
  • Topological Polar Surface Area: 101?2
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