Cas no 4346-49-0 (Benzenesulfonicacid, 4-nitro-, potassium salt (1:1))

Benzenesulfonicacid, 4-nitro-, potassium salt (1:1) structure
4346-49-0 structure
Product Name:Benzenesulfonicacid, 4-nitro-, potassium salt (1:1)
CAS No:4346-49-0
MF:C6H4KNO5S
MW:241.262961387634
CID:334973
PubChem ID:12037034
Update Time:2025-04-19

Benzenesulfonicacid, 4-nitro-, potassium salt (1:1) Chemical and Physical Properties

Names and Identifiers

    • Benzenesulfonicacid, 4-nitro-, potassium salt (1:1)
    • potassium,4-nitrobenzenesulfonic acid
    • Kalium-4-nitro-benzol-sulfonat
    • potassium 4-nitrophenylsulfonate
    • 81012-90-0
    • potassium 4-nitrobenzenesulfonate H2O
    • SCHEMBL10442296
    • 4346-49-0
    • potassium 4-nitrobenzenesulfonate
    • Inchi: 1S/C6H5NO5S.K/c8-7(9)5-1-3-6(4-2-5)13(10,11)12;/h1-4H,(H,10,11,12);/q;+1/p-1
    • InChI Key: FERODINMFGAWHO-UHFFFAOYSA-M
    • SMILES: [K+].S(C1C=CC(=CC=1)[N+](=O)[O-])(=O)(=O)[O-]

Computed Properties

  • Exact Mass: 241.95300
  • Monoisotopic Mass: 241.953
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 1
  • Complexity: 279
  • Covalently-Bonded Unit Count: 2
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 109A^2

Experimental Properties

  • Density: 1.637
  • Boiling Point: °Cat760mmHg
  • Flash Point: °C
  • PSA: 108.57000
  • LogP: 2.44550
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