| CAS Number | 1420299-84-8 |
| Catalog Number | AG00IMF4(AGN-PC-0WQULG) |
| Chemical Name | CHloro[(1,2,3,4,5,6-eta)-2,2'',4,4'',6,6''-hexamethyl[1,1':3',1''-terphenyl]-2'-thiolato-kappas][tris(4-fluorophenyl)phosphine-kappap]ruthenium(ii) |
| IUPAC Name | 2,6-bis(2,4,6-trimethylphenyl)benzenethiolate;chlororuthenium(1+);tris(4-fluorophenyl)phosphane |
| InChI | InChI=1S/C24H26S.C18H12F3P.ClH.Ru/c1-14-10-16(3)22(17(4)11-14)20-8-7-9-21(24(20)25)23-18(5)12-15(2)13-19(23)6;19-13-1-7-16(8-2-13)22(17-9-3-14(20)4-10-17)18-11-5-15(21)6-12-18;;/h7-13,25H,1-6H3;1-12H;1H;/q;;;+2/p-2 |
| InChI Key | PCBRQBCMBTZBQC-UHFFFAOYSA-L |
| MDL Number | MFCD30725745 |
| Molecular Formula | C42H37ClF3PRuS |
| Molecular Weight | 798.3002 |
| SMILES | CC1=CC(=C(C(=C1)C)C2=C(C(=CC=C2)C3=C(C=C(C=C3C)C)C)[S-])C.C1=CC(=CC=C1F)P(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F.Cl[Ru+] |
| Synonyms | 1420299-84-8,
Chloro[(1,2,3,4,5,6-eta)-2,2'',4,4'',6,6''-hexamethyl[1,1':3',1''-terphenyl]-2'-thiolato-kappaS][tris(4-fluorophenyl)phosphine-kappaP]ruthenium(II),
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| Complexity | 657 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 798.104g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 49 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 798.307g/mol |
| Monoisotopic Mass | 798.104g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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