Cas no 38583-82-3 (Benzoic acid, 2-chloro-5-[(4-chloro-1-piperidinyl)sulfonyl]-)

Benzoic acid, 2-chloro-5-[(4-chloro-1-piperidinyl)sulfonyl]- structure
38583-82-3 structure
Product Name:Benzoic acid, 2-chloro-5-[(4-chloro-1-piperidinyl)sulfonyl]-
CAS No:38583-82-3
MF:C12H13Cl2NO4S
MW:338.206920385361
CID:1490428
Update Time:2024-08-24

Benzoic acid, 2-chloro-5-[(4-chloro-1-piperidinyl)sulfonyl]- Chemical and Physical Properties

Names and Identifiers

    • Benzoic acid, 2-chloro-5-[(4-chloro-1-piperidinyl)sulfonyl]-
    • Inchi: 1S/C12H13Cl2NO4S/c13-8-3-5-15(6-4-8)20(18,19)9-1-2-11(14)10(7-9)12(16)17/h1-2,7-8H,3-6H2,(H,16,17)
    • InChI Key: CJAYVINVCKFRSI-UHFFFAOYSA-N
    • SMILES: C(O)(=O)C1=CC(S(N2CCC(Cl)CC2)(=O)=O)=CC=C1Cl

Computed Properties

  • Exact Mass: 336.99439

Experimental Properties

  • Density: 1.58±0.1 g/cm3(Predicted)
  • Boiling Point: 531.1±60.0 °C(Predicted)
  • PSA: 74.68
  • pka: 2.52±0.25(Predicted)
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