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944451-26-7 | (R)-RuCl[p-cymene)(H8-BINAP)]Cl
CAS No: 944451-26-7 Catalog No: AG003CC0 MDL No:
Product Description
Catalog Number:
AG003CC0
Chemical Name:
(R)-RuCl[p-cymene)(H8-BINAP)]Cl
CAS Number:
944451-26-7
Molecular Formula:
C108H108Cl2P4Ru2++
Molecular Weight:
1802.9542
IUPAC Name:
dichlororuthenium;[1-(2-diphenylphosphanyl-5,6,7,8-tetrahydronaphthalen-1-yl)-5,6,7,8-tetrahydronaphthalen-2-yl]-diphenylphosphane;1-methyl-4-propan-2-ylbenzene
InChI:
InChI=1S/C44H40P2.C10H14.2ClH.Ru/c1-5-19-35(20-6-1)45(36-21-7-2-8-22-36)41-31-29-33-17-13-15-27-39(33)43(41)44-40-28-16-14-18-34(40)30-32-42(44)46(37-23-9-3-10-24-37)38-25-11-4-12-26-38;1-8(2)10-6-4-9(3)5-7-10;;;/h1-12,19-26,29-32H,13-18,27-28H2;4-8H,1-3H3;2*1H;/q;;;;+2/p-2
InChI Key:
RDVYAXZMACLMGN-UHFFFAOYSA-L
SMILES:
c1ccc(cc1)P(c1ccc2c(c1c1c3CCCCc3ccc1P(c1ccccc1)c1ccccc1)CCCC2)c1ccccc1.c1ccc(cc1)P(c1ccc2c(c1c1c3CCCCc3ccc1P(c1ccccc1)c1ccccc1)CCCC2)c1ccccc1.Cc1ccc(cc1)C(C)C.Cc1ccc(cc1)C(C)C.[Cl-].[Cl-].[Ru+2].[Ru+2]
Properties
Complexity:
886
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
936.212g/mol
Formal Charge:
0
Heavy Atom Count:
59
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
936.944g/mol
Monoisotopic Mass:
936.212g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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