Cas no 515-72-0 (Benzenesulfonic acid,barium salt (2:1))

Benzenesulfonic acid,barium salt (2:1) structure
515-72-0 structure
Product Name:Benzenesulfonic acid,barium salt (2:1)
CAS No:515-72-0
MF:C12H10BaO6S2
MW:451.661197185516
CID:379126
PubChem ID:68196
Update Time:2025-04-19

Benzenesulfonic acid,barium salt (2:1) Chemical and Physical Properties

Names and Identifiers

    • Benzenesulfonic acid,barium salt (2:1)
    • BARIUM BENZENE SULPHONATE
    • barium di(benzenesulphonate)
    • barium(2+),benzenesulfonate
    • Barium benzenesulfonate
    • barium bisbenzenesulfonate
    • Barium di(benzenesulfonate)
    • 40HD39HR3L
    • barium(2+);benzenesulfonate
    • BARIUM BENZENESULFONATE [MI]
    • Bariumbenzolsulfonat
    • DTXSID40199482
    • NS00080443
    • SCHEMBL2310892
    • EINECS 208-206-4
    • Q27258331
    • 515-72-0
    • UNII-40HD39HR3L
    • Inchi: 1S/2C6H6O3S.Ba/c2*7-10(8,9)6-4-2-1-3-5-6;/h2*1-5H,(H,7,8,9);/q;;+2/p-2
    • InChI Key: ZKGZWXFMFNRPKQ-UHFFFAOYSA-L
    • SMILES: [Ba+2].S(C1C=CC=CC=1)(=O)(=O)[O-].S(C1C=CC=CC=1)(=O)(=O)[O-]

Computed Properties

  • Exact Mass: 443.8979
  • Monoisotopic Mass: 451.897127g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 21
  • Rotatable Bond Count: 0
  • Complexity: 170
  • Covalently-Bonded Unit Count: 3
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 131?2

Experimental Properties

  • PSA: 114.4
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