| CAS Number | 776230-17-2 |
| Catalog Number | AG00G2TG(AGN-PC-0WOJ9S) |
| Chemical Name | Acetonitrilebis[2-diphenylphosphino-6-t-butylpyridine]cyclopentadienylruthenium(II) hexafluorophosphate |
| IUPAC Name | acetonitrile;(6-tert-butylpyridin-2-yl)-diphenylphosphane;cyclopenta-1,3-diene;ruthenium(2+);hexafluorophosphate |
| InChI | InChI=1S/2C21H22NP.C5H5.C2H3N.F6P.Ru/c2*1-21(2,3)19-15-10-16-20(22-19)23(17-11-6-4-7-12-17)18-13-8-5-9-14-18;1-2-4-5-3-1;1-2-3;1-7(2,3,4,5)6;/h2*4-16H,1-3H3;1-3H,4H2;1H3;;/q;;-1;;-1;+2 |
| InChI Key | OWGIBKAXZNILPZ-UHFFFAOYSA-N |
| MDL Number | MFCD06798306 |
| Molecular Formula | C49H52F6N3P3Ru |
| Molecular Weight | 990.9390 |
| SMILES | [Ru+]C1=CC=CC1.CC#N.CC(C2=CC=CC(P(C3=CC=CC=C3)C4=CC=CC=C4)=N2)(C)C.CC(C5=CC=CC(P(C6=CC=CC=C6)C7=CC=CC=C7)=N5)(C)C.F[P-](F)(F)(F)(F)F |
| Synonyms | 776230-17-2,
ACETONITRILEBIS[2-DIPHENYLPHOSPHINO-6-T-BUTYLPYRIDINE]CYCLOPENTADIENYLRUTHENIUM(II) HEXAFLUOROPHOSPHATE,
MFCD06798306,
|
| Complexity | 495 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 6 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 991.232169g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 62 |
| Hydrogen Bond Acceptor Count | 11 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 990.9g/mol |
| Monoisotopic Mass | 991.232169g/mol |
| Rotatable Bond Count | 8 |
| Topological Polar Surface Area | 49.6Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number