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(R) -Ru (OAc) 2 (BINAP)

CAT: 0127-IN12363Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0127-IN12363Size:250 mg
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CAS Number
346457-41-8
Purity
98%

Chemical Information

(NH2Me2)((RuCl((R)-segphos(regR)))2(mu-Cl)3)
CAS Number346457-41-8
PubChem CID91972113
IUPAC Namedimethylazanium;bis([4-(5-diphenylphosphanyl-1,3-benzodioxol-4-yl)-1,3-benzodioxol-5-yl]-diphenylphosphane);bis(ruthenium(2+));pentachloride
Molecular FormulaC78H64Cl5NO8P4Ru2
Molecular Weight1646.6
Topological Polar Surface Area90.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count13
Rotatable Bond Count14
Heavy Atom Count98
Formal Charge0
Complexity790
SMILES
C[NH2+]C.C1OC2=C(O1)C(=C(C=C2)P(C3=CC=CC=C3)C4=CC=CC=C4)C5=C(C=CC6=C5OCO6)P(C7=CC=CC=C7)C8=CC=CC=C8.C1OC2=C(O1)C(=C(C=C2)P(C3=CC=CC=C3)C4=CC=CC=C4)C5=C(C=CC6=C5OCO6)P(C7=CC=CC=C7)C8=CC=CC=C8.[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Ru+2].[Ru+2]
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*+2/p-4
InChIKey
RSZXAODKXNGMHV-UHFFFAOYSA-J
Chemical Structure
2D Structure
2D structure of (NH2Me2)((RuCl((R)-segphos(regR)))2(mu-Cl)3)
CAS: 346457-41-8
CID: 91972113
Formula: C78H64Cl5NO8P4Ru2
MW: 1646.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1646.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count13
Rotatable Bond Count14
Exact Mass1649.00932
Monoisotopic Mass1645.011185
Topological Polar Surface Area90.5 Ų
Heavy Atom Count98
Formal Charge0
Complexity790
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count10
Compound Is CanonicalizedYes

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465752-01S-Ru (OAc) 2 (BINAP)
TRC-O148455-100MG(S)-Ru(OAc)2(BINAP)
sc-250892(R) -Ru (OAc) 2 (BINAP)
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sc-224255A(R) -Ru (OAc) 2 (T-BINAP)
sc-236656(R) -Ru (OAc) 2 (H8-BINAP)
465753-01S-Ru (OAc) 2 (H8-BINAP)
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