| CAS Number | 1421060-10-7 |
| Catalog Number | AG01FR9S(AGN-PC-3H5PL3) |
| Chemical Name | Carbonylchlorohydrido[bis(2-di-t-butylphosphinoethyl)amine]ruthenium(II) |
| IUPAC Name | carbon monoxide;chloro(hydrido)ruthenium;2-ditert-butylphosphanyl-N-(2-ditert-butylphosphanylethyl)ethanamine |
| InChI | InChI=1S/C20H45NP2.CO.ClH.Ru.H/c1-17(2,3)22(18(4,5)6)15-13-21-14-16-23(19(7,8)9)20(10,11)12;1-2;;;/h21H,13-16H2,1-12H3;;1H;;/q;;;+1;/p-1 |
| InChI Key | ISDWBJDAOYEKGL-UHFFFAOYSA-M |
| MDL Number | MFCD30475647 |
| Molecular Formula | C21H46ClNOP2Ru |
| Molecular Weight | 527.0666 |
| SMILES | CC(C)(C)P(CCNCCP(C(C)(C)C)C(C)(C)C)C(C)(C)C.[C-]#[O+].Cl[RuH] |
| Synonyms | |
| Complexity | 287 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 527.178657g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 27 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 527.1g/mol |
| Monoisotopic Mass | 527.178657g/mol |
| Rotatable Bond Count | 10 |
| Topological Polar Surface Area | 13Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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