Cas no 1208079-30-4 (Ethyl 3-bromo-5-[(trifluoromethyl)sulfanyl]benzoate)

Ethyl 3-bromo-5-[(trifluoromethyl)sulfanyl]benzoate structure
1208079-30-4 structure
Product Name:Ethyl 3-bromo-5-[(trifluoromethyl)sulfanyl]benzoate
CAS No:1208079-30-4
MF:C10H8BrF3O2S
MW:329.133531570435
CID:1213884
PubChem ID:75530089
Update Time:2025-04-20

Ethyl 3-bromo-5-[(trifluoromethyl)sulfanyl]benzoate Chemical and Physical Properties

Names and Identifiers

    • Ethyl 3-bromo-5-[(trifluoromethyl)sulfanyl]benzoate
    • 1208079-30-4
    • AKOS017343349
    • Ethyl 3-bromo-5-[(trifluoromethyl)sulfanyl] benzoate
    • Inchi: 1S/C10H8BrF3O2S/c1-2-16-9(15)6-3-7(11)5-8(4-6)17-10(12,13)14/h3-5H,2H2,1H3
    • InChI Key: LTTLQNWLFXOASP-UHFFFAOYSA-N
    • SMILES: BrC1C=C(C=C(C(=O)OCC)C=1)SC(F)(F)F

Computed Properties

  • Exact Mass: 327.93805g/mol
  • Monoisotopic Mass: 327.93805g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 4
  • Complexity: 273
  • 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: 4.6
  • Topological Polar Surface Area: 51.6?2
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