Cas no 142576-95-2 (Benzoic acid, 2,6-dichloro-3-[(4-methyl-1-piperazinyl)sulfonyl]-)

Benzoic acid, 2,6-dichloro-3-[(4-methyl-1-piperazinyl)sulfonyl]- structure
142576-95-2 structure
Product Name:Benzoic acid, 2,6-dichloro-3-[(4-methyl-1-piperazinyl)sulfonyl]-
CAS No:142576-95-2
MF:C12H14Cl2N2O4S
MW:353.221560001373
CID:1311434
Update Time:2024-08-18

Benzoic acid, 2,6-dichloro-3-[(4-methyl-1-piperazinyl)sulfonyl]- Chemical and Physical Properties

Names and Identifiers

    • Benzoic acid, 2,6-dichloro-3-[(4-methyl-1-piperazinyl)sulfonyl]-
    • Inchi: 1S/C12H14Cl2N2O4S/c1-15-4-6-16(7-5-15)21(19,20)9-3-2-8(13)10(11(9)14)12(17)18/h2-3H,4-7H2,1H3,(H,17,18)
    • InChI Key: USZNEYCMSWGAMK-UHFFFAOYSA-N
    • SMILES: C(O)(=O)C1=C(Cl)C=CC(S(N2CCN(C)CC2)(=O)=O)=C1Cl

Computed Properties

  • Exact Mass: 352.00532

Experimental Properties

  • Density: 1.520±0.06 g/cm3(Predicted)
  • Boiling Point: 508.2±60.0 °C(Predicted)
  • PSA: 77.92
  • pka: 1.18±0.25(Predicted)
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