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Home Other Building Blocks (R)RuCl[(pcymene)(SEGPHOS)]Cl

(R)RuCl[(pcymene)(SEGPHOS)]Cl

CAS No.:
944451-28-9
Catalog Number:
AG003C6M
Molecular Formula:
C51H51Cl2O4P2Ru
Molecular Weight:
961.8718
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Product Description
Catalog Number:
AG003C6M
Chemical Name:
(R)RuCl[(pcymene)(SEGPHOS)]Cl
CAS Number:
944451-28-9
Molecular Formula:
C51H51Cl2O4P2Ru
Molecular Weight:
961.8718
MDL Number:
MFCD09753017
IUPAC Name:
dichlororuthenium;[4-(5-diphenylphosphanyl-1,3-benzodioxol-4-yl)-1,3-benzodioxol-5-yl]-diphenylphosphane;1-methyl-4-propan-2-ylbenzene
InChI:
InChI=1S/C38H28O4P2.C10H14.2ClH.Ru/c1-5-13-27(14-6-1)43(28-15-7-2-8-16-28)33-23-21-31-37(41-25-39-31)35(33)36-34(24-22-32-38(36)42-26-40-32)44(29-17-9-3-10-18-29)30-19-11-4-12-20-30;1-8(2)10-6-4-9(3)5-7-10;;;/h1-24H,25-26H2;4-8H,1-3H3;2*1H;/q;;;;+2/p-2
InChI Key:
HZLSGDCLBWZKRB-UHFFFAOYSA-L
SMILES:
c1ccc(cc1)P(c1ccc2c(c1c1c3OCOc3ccc1P(c1ccccc1)c1ccccc1)OCO2)c1ccccc1.C[Ru+](Cl)(C)C.Cc1ccc(cc1)C(C)C.[Cl-]
Properties
Complexity:
876  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
916.098g/mol
Formal Charge:
0
Heavy Atom Count:
57  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
916.778g/mol
Monoisotopic Mass:
916.098g/mol
Rotatable Bond Count:
8  
Topological Polar Surface Area:
36.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties