Cas no 68984-05-4 (3-chlorobenzene-1-sulfonyl isocyanate)

3-chlorobenzene-1-sulfonyl isocyanate structure
68984-05-4 structure
Product Name:3-chlorobenzene-1-sulfonyl isocyanate
CAS No:68984-05-4
MF:C7H4ClNO3S
MW:217.629559516907
MDL:MFCD16309989
CID:392388
PubChem ID:19973470
Update Time:2025-04-19

3-chlorobenzene-1-sulfonyl isocyanate Chemical and Physical Properties

Names and Identifiers

    • Benzenesulfonyl isocyanate, 3-chloro-
    • 3-chloro-N-(oxomethylidene)benzenesulfonamide
    • 68984-05-4
    • 3-chlorobenzenesulfonyl isocyanate
    • BUFPYFZTTSMGCN-UHFFFAOYSA-N
    • 3-Chlorobenzene-1-sulfonylisocyanate
    • EN300-247825
    • [3-chlorobenzenesulfonyl]isocyanate
    • SCHEMBL8854126
    • 3-Chlorobenzene-1-sulfonyl isocyanate
    • DTXSID60601592
    • 3-chlorobenzene-1-sulfonyl isocyanate
    • MDL: MFCD16309989
    • Inchi: 1S/C7H4ClNO3S/c8-6-2-1-3-7(4-6)13(11,12)9-5-10/h1-4H
    • InChI Key: BUFPYFZTTSMGCN-UHFFFAOYSA-N
    • SMILES: ClC1=CC=CC(=C1)S(N=C=O)(=O)=O

Computed Properties

  • Exact Mass: 216.9600419g/mol
  • Monoisotopic Mass: 216.9600419g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 2
  • Complexity: 315
  • 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: 72?2

3-chlorobenzene-1-sulfonyl isocyanate Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
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