| CAS Number | 52490-94-5 |
| Catalog Number | AG00DF4L(AGN-PC-0SCUIP) |
| Chemical Name | Dichloro(p-cymene)triphenylphosphineruthenium(II) dichloromethane adduct |
| IUPAC Name | dichloromethane;dichlororuthenium;1-methyl-4-propan-2-ylbenzene;triphenylphosphane |
| InChI | InChI=1S/C18H15P.C10H14.CH2Cl2.2ClH.Ru/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-8(2)10-6-4-9(3)5-7-10;2-1-3;;;/h1-15H;4-8H,1-3H3;1H2;2*1H;/q;;;;;+2/p-2 |
| InChI Key | ZMCNSVXDEFGLMT-UHFFFAOYSA-L |
| MDL Number | MFCD28144560 |
| Molecular Formula | C28H29Cl2PRu |
| Molecular Weight | 568.4796 |
| SMILES | [Cl-][Ru+2]12345([Cl-])([CH]=6[CH]5=C4(C(C)C)[CH]3=[CH]2C61C)[P](C=7C=CC=CC7)(C=8C=CC=CC8)C=9C=CC=CC9 |
| Synonyms | 52490-94-5,
Dichloro(p-cymene)(triphenylphosphane)ruthenium(II),
|
| Complexity | 293 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 4 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 653.993139g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 35 |
| Hydrogen Bond Acceptor Count | 0 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 653.4g/mol |
| Monoisotopic Mass | 651.996089g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 0Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number