Cas no 578028-97-4 (4-((Trifluoromethyl)sulfonyl)benzylamine hydrochloride)

4-((Trifluoromethyl)sulfonyl)benzylamine hydrochloride structure
578028-97-4 structure
Product Name:4-((Trifluoromethyl)sulfonyl)benzylamine hydrochloride
CAS No:578028-97-4
MF:C8H9ClF3NO2S
MW:275.675770521164
CID:5017187
Update Time:2023-08-25

4-((Trifluoromethyl)sulfonyl)benzylamine hydrochloride Chemical and Physical Properties

Names and Identifiers

    • 4-((trifluoromethyl)sulfonyl)benzylamine hydrochloride
    • 4-[(trifluoromethyl)sulfonyl]benzylamine hydrochloride
    • 4-((Trifluoromethyl)sulfonyl)benzylamine hydrochloride
    • Inchi: 1S/C8H8F3NO2S.ClH/c9-8(10,11)15(13,14)7-3-1-6(5-12)2-4-7;/h1-4H,5,12H2;1H
    • InChI Key: BFCOVWYLVYATCC-UHFFFAOYSA-N
    • SMILES: Cl.S(C(F)(F)F)(C1C=CC(CN)=CC=1)(=O)=O

Computed Properties

  • Exact Mass: 274.9994619 g/mol
  • Monoisotopic Mass: 274.9994619 g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 2
  • Complexity: 299
  • Covalently-Bonded Unit Count: 2
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Molecular Weight: 275.68
  • Topological Polar Surface Area: 68.5
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