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Ru-MACHO (regR) -BH

CAT: 0127-IN13224-01Size: 200 mgDry Ice: NoHazardous: No
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CAT#:0127-IN13224-01Size:200 mg
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CAS Number
1295649-41-0
Synonyms
Carbonylhydrido (tetrahydroborato) [bis (2-diphenylphosphinoethyl) amino]ruthenium (II)
MDL Number
MFCD20922901
Purity
≥95%
Smiles
[B-].[C-]#[O+].C1=CC=C (C=C1) P (CCNCCP (C2=CC=CC=C2) C3=CC=CC=C3) C4=CC=CC=C4.[Ru+]

Chemical Information

Carbonylhydrido(tetrahydroborato)(bis(2-diphenylphosphinoethyl)amino)ruthenium(II)
CAS Number1295649-41-0
PubChem CID71579174
Molecular FormulaC29H29BNOP2Ru
Molecular Weight581.4
Topological Polar Surface Area13
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count10
Heavy Atom Count35
Formal Charge0
Complexity392
SMILES
[B-].[C-]#[O+].C1=CC=C(C=C1)P(CCNCCP(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4.[Ru+]
InChI
InChI=1S/C28H29NP2.CO.B.Ru/c1-5-13-25(14-6-1)30(26-15-7-2-8-16-26)23-21-29-22-24-31(27-17-9-3-10-18-27)28-19-11-4-12-20-28;1-2;;/h1-20,29H,21-24H2;;;/q;;-1;+1
InChIKey
LQSGHWPZLHRISL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Carbonylhydrido(tetrahydroborato)(bis(2-diphenylphosphinoethyl)amino)ruthenium(II)
CAS: 1295649-41-0
CID: 71579174
Formula: C29H29BNOP2Ru
MW: 581.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight581.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count10
Exact Mass582.086084
Monoisotopic Mass582.086084
Topological Polar Surface Area13 Ų
Heavy Atom Count35
Formal Charge0
Complexity392
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count4
Compound Is CanonicalizedYes

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