Cas no 96-92-4 (Benzenesulfonic acid,4-chloro-3-methyl-5-nitro-)

Benzenesulfonic acid,4-chloro-3-methyl-5-nitro- structure
96-92-4 structure
Product Name:Benzenesulfonic acid,4-chloro-3-methyl-5-nitro-
CAS No:96-92-4
MF:C7H6ClNO5S
MW:251.644239902496
CID:815769
PubChem ID:66792
Update Time:2025-04-19

Benzenesulfonic acid,4-chloro-3-methyl-5-nitro- Chemical and Physical Properties

Names and Identifiers

    • Benzenesulfonic acid,4-chloro-3-methyl-5-nitro-
    • 6-chloro-5-nitrotoluene-3-sulphonic acid
    • Benzenesulfonic acid, 4-chloro-3-methyl-5-nitro-
    • DTXSID10242075
    • EINECS 202-545-1
    • 6-CHLORO-5-NITROTOLUENE-3-SULFONIC ACID
    • 96-92-4
    • 4-chloro-3-methyl-5-nitrobenzenesulfonic acid
    • SCHEMBL4479896
    • NCIOpen2_002276
    • G69C32YP54
    • NS00040504
    • Inchi: 1S/C7H6ClNO5S/c1-4-2-5(15(12,13)14)3-6(7(4)8)9(10)11/h2-3H,1H3,(H,12,13,14)
    • InChI Key: OJTXHPQIEJMIJY-UHFFFAOYSA-N
    • SMILES: ClC1C(=CC(=CC=1C)S(=O)(=O)O)[N+](=O)[O-]

Computed Properties

  • Exact Mass: 250.9655212g/mol
  • Monoisotopic Mass: 250.9655212g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 1
  • Complexity: 345
  • 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: 1.5
  • Topological Polar Surface Area: 109?2
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