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Home > Other Building Blocks > 346457-41-8
346457-41-8 | (R)-[(RuCl(SEGPHOS))2(μ-Cl)3][NH2Me2]
CAS No: 346457-41-8 Catalog No: AG003C6Q MDL No:MFCD09753037
Product Description
Catalog Number:
AG003C6Q
Chemical Name:
(R)-[(RuCl(SEGPHOS))2(μ-Cl)3][NH2Me2]
CAS Number:
346457-41-8
Molecular Formula:
C80H72Cl10N2O8P4Ru4
Molecular Weight:
2072.1413
MDL Number:
MFCD09753037
IUPAC Name:
[4-(5-diphenylphosphanyl-1,3-benzodioxol-4-yl)-1,3-benzodioxol-5-yl]-diphenylphosphane;N-methylmethanamine;ruthenium;trichloronioruthenium(1-);chloride;hydrochloride
InChI:
InChI=1S/2C38H28O4P2.C2H7N.5ClH.2Ru/c2*1-5-13-27(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;1-3-2;;;;;;;/h2*1-24H,25-26H2;3H,1-2H3;5*1H;;/q;;;;;;;;;+2/p-1
InChI Key:
GTKMQYLNAZIAEF-UHFFFAOYSA-M
SMILES:
[Cl+]1[Ru-]2[Cl+][Ru-]1[Cl+]2.[Cl+]1[Ru-]2[Cl+][Ru-]1[Cl+]2.c1ccc(cc1)P(c1ccc2c(c1c1c3OCOc3ccc1P(c1ccccc1)c1ccccc1)OCO2)c1ccccc1.c1ccc(cc1)P(c1ccc2c(c1c1c3OCOc3ccc1P(c1ccccc1)c1ccccc1)OCO2)c1ccccc1.CNC.CNC.Cl.Cl.[Cl-].[Cl-]
Properties
Complexity:
800
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
7
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
1652.033g/mol
Formal Charge:
1
Heavy Atom Count:
98
Hydrogen Bond Acceptor Count:
11
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
1649.678g/mol
Monoisotopic Mass:
1648.035g/mol
Rotatable Bond Count:
14
Topological Polar Surface Area:
85.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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