Cas no 62530-11-4 (Benzene, 1-chloro-4-(2-chlorophenoxy)-2-methoxy-3,5-dinitro-)

Benzene, 1-chloro-4-(2-chlorophenoxy)-2-methoxy-3,5-dinitro- structure
62530-11-4 structure
Product Name:Benzene, 1-chloro-4-(2-chlorophenoxy)-2-methoxy-3,5-dinitro-
CAS No:62530-11-4
MF:C13H8Cl2N2O6
MW:359.118421554565
CID:441417
PubChem ID:71385484
Update Time:2025-04-19

Benzene, 1-chloro-4-(2-chlorophenoxy)-2-methoxy-3,5-dinitro- Chemical and Physical Properties

Names and Identifiers

    • Benzene, 1-chloro-4-(2-chlorophenoxy)-2-methoxy-3,5-dinitro-
    • 1-chloro-4-(2-chlorophenoxy)-2-methoxy-3,5-dinitrobenzene
    • DTXSID00807713
    • 62530-11-4
    • Inchi: 1S/C13H8Cl2N2O6/c1-22-12-8(15)6-9(16(18)19)13(11(12)17(20)21)23-10-5-3-2-4-7(10)14/h2-6H,1H3
    • InChI Key: LMRKGCDNWSQJFH-UHFFFAOYSA-N
    • SMILES: ClC1C=C(C(=C(C=1OC)[N+](=O)[O-])OC1C=CC=CC=1Cl)[N+](=O)[O-]

Computed Properties

  • Exact Mass: 357.97604
  • Monoisotopic Mass: 357.9759414g/mol
  • 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: 4.3
  • Topological Polar Surface Area: 110?2

Experimental Properties

  • PSA: 104.74
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