Cas no 115546-81-1 (2-chloro-5-nitro-benzenesulfinyl chloride)

2-chloro-5-nitro-benzenesulfinyl chloride structure
115546-81-1 structure
Product Name:2-chloro-5-nitro-benzenesulfinyl chloride
CAS No:115546-81-1
MF:C6H3Cl2NO3S
MW:240.063918352127
CID:1205436
PubChem ID:54550092
Update Time:2025-04-20

2-chloro-5-nitro-benzenesulfinyl chloride Chemical and Physical Properties

Names and Identifiers

    • 2-chloro-5-nitro-benzenesulfinyl chloride
    • 2-Chloro-5-nitrobenzenesulfinyl chloride
    • benzenesulfinyl chloride, 2-chloro-5-nitro-
    • LogP
    • 115546-81-1
    • SCHEMBL10507366
    • DTXSID101273623
    • Inchi: 1S/C6H3Cl2NO3S/c7-5-2-1-4(9(10)11)3-6(5)13(8)12/h1-3H
    • InChI Key: ZJHJYGYMSBYZIK-UHFFFAOYSA-N
    • SMILES: ClC1=CC=C(C=C1S(=O)Cl)[N+](=O)[O-]

Computed Properties

  • Exact Mass: 238.92119
  • Monoisotopic Mass: 238.9210695g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 1
  • Complexity: 232
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2.6
  • Topological Polar Surface Area: 82.1?2

Experimental Properties

  • PSA: 60.21
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