Cas no 14054-92-3 (Samarium, Tris[4,4,4-trifluoro-1-(2-thienyl)-1,3-butanedionato]-)

Samarium, Tris[4,4,4-trifluoro-1-(2-thienyl)-1,3-butanedionato]- structure
14054-92-3 structure
Product Name:Samarium, Tris[4,4,4-trifluoro-1-(2-thienyl)-1,3-butanedionato]-
CAS No:14054-92-3
MF:C24H21F9O6S3Sm
MW:822.960575819016
CID:903135
PubChem ID:3084182
Update Time:2025-04-19

Samarium, Tris[4,4,4-trifluoro-1-(2-thienyl)-1,3-butanedionato]- Chemical and Physical Properties

Names and Identifiers

    • Samarium, Tris[4,4,4-trifluoro-1-(2-thienyl)-1,3-butanedionato]-
    • Samarium, tris(4,4,4-trifluoro-1-(2-thienyl)-1,3-butanedionato-kappaO,kappaO')-
    • 14054-92-3
    • Tris(2-thenoyltrifluoroacetonate)samarium
    • Samarium, tris(4,4,4-trifluoro-1-(2-thienyl)-1,3-butanedionato)-
    • NSC 174290
    • Samarium, tris(4,4,4-trifluoro-1-(2-thienyl)-1,3-butanedionato-O,O')-
    • Samarium, tris(4,4,4-trifluoro-1-(2-thienyl)-1,3-butanedionato-kappaO1,kappaO3)-
    • Tris(thenoyltrifluoroacetonato)samarium
    • Inchi： 1S/3C8H5F3O2S.Sm/c3*9-8(10,11)7(13)4-5(12)6-2-1-3-14-6;/h3*1-3H,4H2;/p+6
    • InChI Key： UJOZDQULAPEUIV-UHFFFAOYSA-T
    • SMILES： [Sm].S1C=CC=C1C(CC(C(F)(F)F)=[OH+])=[OH+].S1C=CC=C1C(CC(C(F)(F)F)=[OH+])=[OH+].S1C=CC=C1C(CC(C(F)(F)F)=[OH+])=[OH+]

Computed Properties

  • Exact Mass: 809.90075
  • Monoisotopic Mass: 823.95539g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 6
  • Hydrogen Bond Acceptor Count: 12
  • Heavy Atom Count: 43
  • Rotatable Bond Count: 3
  • Complexity: 879
  • Covalently-Bonded Unit Count: 4
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 90.7?2

Experimental Properties

  • PSA: 102.42
  • LogP: 7.35690

Samarium, Tris[4,4,4-trifluoro-1-(2-thienyl)-1,3-butanedionato]- Related Literature

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