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1026995-71-0,MFCD12545953
Catalog No.:AA00082C
1026995-71-0 | RuCl[(R,R)-Fsdpen](p-cymene)
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200mg
>90%(NMR)
in stock  
$134.00   $94.00
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1g
>90%(NMR)
in stock  
$470.00   $329.00
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Technical Information
Catalog Number:
AA00082C
Chemical Name:
RuCl[(R,R)-Fsdpen](p-cymene)
CAS Number:
1026995-71-0
Molecular Formula:
C30H28ClF5N2O2RuS
Molecular Weight:
712.1355
MDL Number:
MFCD12545953
IUPAC Name:
[(1R,2R)-2-amino-1,2-diphenylethyl]-(2,3,4,5,6-pentafluorophenyl)sulfonylazanide;chlororuthenium(1+);1-methyl-4-propan-2-ylbenzene
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-;;;/m1.../s1
InChI Key:
UWFMZLATRGEOIW-ZJPTYAPPSA-M
SMILES:
Cc1ccc(cc1)C(C)C.Cl[Ru]N(S(=O)(=O)c1c(F)c(F)c(c(c1F)F)F)[C@@H]([C@@H](c1ccccc1)N)c1ccccc1
Properties
Computed Properties
 
Complexity:
735  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
712.052g/mol
Formal Charge:
0
Heavy Atom Count:
42  
Hydrogen Bond Acceptor Count:
9  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
712.138g/mol
Monoisotopic Mass:
712.052g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
69.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

Synonyms
 
1026995-71-0 
RuCl[(R,R)-FsDPEN](p-cymene) 
Chloroaminodiphenylethylpentafluorophenylksulfonyl)amido((p-cymene)ruthenium(II)) 
SCHEMBL1669799 
MFCD12545953 
AKOS030230301 
RuCl[(R,R)-FsDPEN](p-cymene), 90% 
[N-[(1R,2R)-2-(Amino-|EN)-1,2-diphenylethyl]-2,3,4,5,6-pentafluorobenzenesulfonamidato-|EN]chloro[(1,2,3,4,5,6-|C)-1-methyl-4-(1-methylethyl)benzene]-ruthenium 
Chloro{[(1R,2R)-(-)-2-amino-1,2-diphenylethyl](4-pentafluorophenylsulfonyl)amido{(p-cymene)ruthenium(II) 
Chloroaminodiphenylethylpentafluorophenylksulfonyl)-amido((p-cymene)ruthenium(II)) 
Literature
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