| CAS Number | 1259070-80-8 |
| Catalog Number | AG00IMKB(AGN-PC-0WQUOY) |
| Chemical Name | Ru(II)-(S)-Pheox Catalyst |
| IUPAC Name | acetonitrile;(4S)-2-(cyclohexatrienyl)-4-phenyl-4,5-dihydro-1,3-oxazole;ruthenium(1+);hexafluorophosphate |
| InChI | InChI=1S/C15H12NO.4C2H3N.F6P.Ru/c1-3-7-12(8-4-1)14-11-17-15(16-14)13-9-5-2-6-10-13;4*1-2-3;1-7(2,3,4,5)6;/h1-9,14H,11H2;4*1H3;;/q;;;;;-1;+1/t14-;;;;;;/m1....../s1 |
| InChI Key | MFYKDMZDJHSTQM-YEYOTXFRSA-N |
| MDL Number | MFCD31618155 |
| Molecular Formula | C23H24F6N5OPRu |
| Molecular Weight | 632.5037 |
| SMILES | CC#[N][Ru+2]2([N]#CC)([N]#CC)([N]#CC)[N]3=C(OC[C@@H]3[C@]4=CC=CC=C4)C1=CC=CC=[C-]12.F[P-](F)(F)(F)(F)F |
| Synonyms | Ru(II)-(S)-PheoxCatalyst,
1259070-80-8,
|
| Complexity | 373 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 7 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 633.066607g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 37 |
| Hydrogen Bond Acceptor Count | 13 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 632.5g/mol |
| Monoisotopic Mass | 633.066607g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 117Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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