Chloro{[(1S,2S)-(+)-2-amino-1,2-diphenylethyl](pentafluorophenylsulfonyl)amido}(p-cymene)ruthenium(II)

• Catalog: OFC1026995721
• CAS: 1026995-72-1
• Category: Fluorinated Metal Complexes
• Synonyms: RuCl[(S,S)-Fsdpen]
• Purity: >90.0%
• MDL Number: MFCD12545954

• IUPAC Name: [(1S,2S)-2-amino-1,2-diphenylethyl]-(2,3,4,5,6-pentafluorophenyl)sulfonylazanide;1-methyl-4-propan-2-ylbenzene;ruthenium(2+);chloride
• InChI: InChI=1S/C20H14F5N2O2S.C10H14.ClH.Ru/c21-13-14(22)16(24)20(17(25)15(13)23)30(28,29)27-19(12-9-5-2-6-10-12)18(26)11-7-3-1-4-8-11;1-8(2)10-6-4-9(3)5-7-10;;/h1-10,18-19H,26H2;4-8H,1-3H3;1H;/q-1;;;+2/p-1/t18-,19-;;;/m0.../s1
• InChI Key: UWFMZLATRGEOIW-NWMPYMMKSA-M
• Isomeric SMILES: CC1=CC=C(C=C1)C(C)C.C1=CC=C(C=C1)[C@@H]([C@H](C2=CC=CC=C2)[N-]S(=O)(=O)C3=C(C(=C(C(=C3F)F)F)F)F)N.[Cl-].[Ru+2]
• EC Number: 806-979-8

• Molecular Formula: C30H28ClF5N2O2RuS
• Molecular Weight: 712.14
• Appearance: Orange to brown powder
• Stability: Air sensitive

• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 7
• Exact Mass: 712.052358 g/mol
• Monoisotopic Mass: 712.052358 g/mol
• Topological Polar Surface Area: 69.5Ų
• Heavy Atom Count: 42
• Formal Charge: 0
• Complexity: 722