Cas no 7019-16-1 (Benzenesulfonyl isocyanate, 2,5-dichloro-)

Benzenesulfonyl isocyanate, 2,5-dichloro- structure
7019-16-1 structure
Product Name:Benzenesulfonyl isocyanate, 2,5-dichloro-
CAS No:7019-16-1
MF:C7H3Cl2NO3S
MW:252.074618577957
CID:547590
PubChem ID:12875187
Update Time:2025-04-19

Benzenesulfonyl isocyanate, 2,5-dichloro- Chemical and Physical Properties

Names and Identifiers

    • Benzenesulfonyl isocyanate, 2,5-dichloro-
    • 2,5-dichloro-N-(oxomethylidene)benzenesulfonamide
    • LYDQIFZADSUDGM-UHFFFAOYSA-N
    • DTXSID50512123
    • 2,5-dichlorobenzene sulfonyl isocyanate
    • 2,5-dichlorobenzenesulfonylisocyanate
    • 2,5-Dichlorobenzene-1-sulfonyl isocyanate
    • SCHEMBL5655549
    • 2,5-dichlorobenzenesulfonyl isocyanate
    • 7019-16-1
    • Inchi: 1S/C7H3Cl2NO3S/c8-5-1-2-6(9)7(3-5)14(12,13)10-4-11/h1-3H
    • InChI Key: LYDQIFZADSUDGM-UHFFFAOYSA-N
    • SMILES: ClC1C=CC(=CC=1S(N=C=O)(=O)=O)Cl

Computed Properties

  • Exact Mass: 250.92119
  • Monoisotopic Mass: 250.9210695g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 2
  • Complexity: 344
  • 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: 3.5
  • Topological Polar Surface Area: 72?2

Experimental Properties

  • PSA: 63.57
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