Cas no 1485-91-2 (Benzenesulfonic acid,2,4-dinitro-, methyl ester)

Benzenesulfonic acid,2,4-dinitro-, methyl ester structure
1485-91-2 structure
Product Name:Benzenesulfonic acid,2,4-dinitro-, methyl ester
CAS No:1485-91-2
MF:C7H6N2O7S
MW:262.196740627289
CID:231433
PubChem ID:284570
Update Time:2025-04-19

Benzenesulfonic acid,2,4-dinitro-, methyl ester Chemical and Physical Properties

Names and Identifiers

    • Benzenesulfonic acid,2,4-dinitro-, methyl ester
    • methyl 2,4-dinitrobenzenesulfonate
    • 2,4-dinitro-benzenesulfonic acid methyl ester
    • 2,4-Dinitrobenzolsulfonsaeuremethylester
    • 2,4-Dinitro-benzolsulfonsaeure-methylester
    • 2.4-Dinitro-benzolsulfonsaeuremethylester
    • 2.4-Dinitro-benzolsulfonsaeure-methylester
    • 2.4-Dinitro-benzol-sulfonsaeure-methylester
    • AC1L615O
    • AC1Q1YZA
    • AG-K-79614
    • AR-1J4548
    • CTK4C5860
    • NSC140551
    • DTXSID80301022
    • NSC-140551
    • SCHEMBL11817089
    • 1485-91-2
    • Inchi: 1S/C7H6N2O7S/c1-16-17(14,15)7-3-2-5(8(10)11)4-6(7)9(12)13/h2-4H,1H3
    • InChI Key: PHHGZNIUDPMBAW-UHFFFAOYSA-N
    • SMILES: S(C1C=CC(=CC=1[N+](=O)[O-])[N+](=O)[O-])(=O)(=O)OC

Computed Properties

  • Exact Mass: 261.98958
  • Monoisotopic Mass: 261.98957171g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 7
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 2
  • Complexity: 403
  • 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
  • Topological Polar Surface Area: 143?2

Experimental Properties

  • PSA: 129.65
  • LogP: 2.96530
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