Cas no 63116-14-3 (Disulfide, 4-chlorophenyl 2,4-dinitrophenyl)

Disulfide, 4-chlorophenyl 2,4-dinitrophenyl structure
63116-14-3 structure
Product Name:Disulfide, 4-chlorophenyl 2,4-dinitrophenyl
CAS No:63116-14-3
MF:C12H7ClN2O4S2
MW:342.777979135513
CID:427185
PubChem ID:12336428
Update Time:2025-04-19

Disulfide, 4-chlorophenyl 2,4-dinitrophenyl Chemical and Physical Properties

Names and Identifiers

    • Disulfide, 4-chlorophenyl 2,4-dinitrophenyl
    • 1-[(4-chlorophenyl)disulfanyl]-2,4-dinitrobenzene
    • 63116-14-3
    • DTXSID50491424
    • Inchi: 1S/C12H7ClN2O4S2/c13-8-1-4-10(5-2-8)20-21-12-6-3-9(14(16)17)7-11(12)15(18)19/h1-7H
    • InChI Key: HFXOFHPDJPXDFM-UHFFFAOYSA-N
    • SMILES: ClC1C=CC(=CC=1)SSC1C=CC(=CC=1[N+](=O)[O-])[N+](=O)[O-]

Computed Properties

  • Exact Mass: 341.95371
  • Monoisotopic Mass: 341.9535767g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 21
  • Rotatable Bond Count: 3
  • Complexity: 382
  • 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: 142?2

Experimental Properties

  • PSA: 86.28
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