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749935-02-2

749935-02-2 | (R)-[(RuCl(T-BINAP))2(μ-Cl)3[NH2Me2]

CAS No: 749935-02-2 Catalog No: AG003C6R MDL No:MFCD09753034

Product Description

Catalog Number:
AG003C6R
Chemical Name:
(R)-[(RuCl(T-BINAP))2(μ-Cl)3[NH2Me2]
CAS Number:
749935-02-2
Molecular Formula:
C106H116Cl5NP4Ru2+
Molecular Weight:
1907.3620
MDL Number:
MFCD09753034
IUPAC Name:
[1-[2-bis(4-methylphenyl)phosphanylnaphthalen-1-yl]naphthalen-2-yl]-bis(4-methylphenyl)phosphane;N-methylmethanamine;ruthenium;trichloronioruthenium(1-);chloride;hydrochloride
InChI:
InChI=1S/2C48H40P2.C2H7N.5ClH.2Ru/c2*1-33-13-23-39(24-14-33)49(40-25-15-34(2)16-26-40)45-31-21-37-9-5-7-11-43(37)47(45)48-44-12-8-6-10-38(44)22-32-46(48)50(41-27-17-35(3)18-28-41)42-29-19-36(4)20-30-42;1-3-2;;;;;;;/h2*5-32H,1-4H3;3H,1-2H3;5*1H;;/q;;;;;;;;;+2/p-1
InChI Key:
BKLYSQLZSZMPAP-UHFFFAOYSA-M
SMILES:
C[Ru](Cl)(Cl)(C)(C)C.C[Ru](Cl)(Cl)(C)(C)C.Cc1ccc(cc1)P(c1ccc2c(c1)cccc2)c1ccc(cc1)C.Cc1ccc(cc1)P(c1ccc2c(c1)cccc2)c1ccc(cc1)C.Cc1ccc(cc1)P(c1ccc2c(c1)cccc2)c1ccc(cc1)C.Cc1ccc(cc1)P(c1ccc2c(c1)cccc2)c1ccc(cc1)C.C[NH2+]C.[Cl]

Properties

Complexity:
909  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
7  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
1789.265g/mol
Formal Charge:
1  
Heavy Atom Count:
110  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
5  
Isotope Atom Count:
0
Molecular Weight:
1786.098g/mol
Monoisotopic Mass:
1784.263g/mol
Rotatable Bond Count:
14  
Topological Polar Surface Area:
12A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

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