Cas no 186490-80-2 (Benzoic acid, 5-chloro-2-[[(trifluoromethyl)sulfonyl]amino]-, ethyl ester)

Benzoic acid, 5-chloro-2-[[(trifluoromethyl)sulfonyl]amino]-, ethyl ester structure
186490-80-2 structure
Product Name:Benzoic acid, 5-chloro-2-[[(trifluoromethyl)sulfonyl]amino]-, ethyl ester
CAS No:186490-80-2
MF:C10H9ClF3NO4S
MW:331.695971250534
CID:1378804
Update Time:2024-08-16

Benzoic acid, 5-chloro-2-[[(trifluoromethyl)sulfonyl]amino]-, ethyl ester Chemical and Physical Properties

Names and Identifiers

    • Benzoic acid, 5-chloro-2-[[(trifluoromethyl)sulfonyl]amino]-, ethyl ester
    • Inchi: 1S/C10H9ClF3NO4S/c1-2-19-9(16)7-5-6(11)3-4-8(7)15-20(17,18)10(12,13)14/h3-5,15H,2H2,1H3
    • InChI Key: IUBDUPNUQQPFMW-UHFFFAOYSA-N
    • SMILES: C(OCC)(=O)C1=CC(Cl)=CC=C1NS(C(F)(F)F)(=O)=O

Computed Properties

  • Exact Mass: 330.98937

Experimental Properties

  • Density: 1.559±0.06 g/cm3(Predicted)
  • Melting Point: 65.7 °C
  • Boiling Point: 362.1±52.0 °C(Predicted)
  • PSA: 72.47
  • pka: 2.97±0.10(Predicted)
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