Cas no 117934-81-3 (Benzene, 2,4-diiodo-1,3,5-trimethoxy-)

Benzene, 2,4-diiodo-1,3,5-trimethoxy- structure
117934-81-3 structure
Product Name:Benzene, 2,4-diiodo-1,3,5-trimethoxy-
CAS No:117934-81-3
MF:C9H10I2O3
MW:419.982847690582
CID:1207342
PubChem ID:14112610
Update Time:2025-04-20

Benzene, 2,4-diiodo-1,3,5-trimethoxy- Chemical and Physical Properties

Names and Identifiers

    • Benzene, 2,4-diiodo-1,3,5-trimethoxy-
    • 2,4-diiodo-1,3,5-trimethoxybenzene
    • DTXSID90556026
    • 117934-81-3
    • Inchi： 1S/C9H10I2O3/c1-12-5-4-6(13-2)8(11)9(14-3)7(5)10/h4H,1-3H3
    • InChI Key： GPBALMQLIJAZEK-UHFFFAOYSA-N
    • SMILES： IC1C(=CC(=C(C=1OC)I)OC)OC

Computed Properties

  • Exact Mass: 419.871
  • Monoisotopic Mass: 419.87194g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 3
  • Complexity: 163
  • 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: 3.1
  • Topological Polar Surface Area: 27.7?2

Experimental Properties

  • PSA: 27.69

Benzene, 2,4-diiodo-1,3,5-trimethoxy- Related Literature

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