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Catalog | OFC2757085177 |
CAS | 2757085-17-7 |
Category | Fluorinated Catalysts |
Synonyms | [5,5'-Bis-Trifluoromethyl]Bis[3,5-Difluoro-2-(5-Fluoro-2-Pyridinyl)Phenyl]Iridium(III) Hexafluorophosphate |
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IUPAC Name | 2-(2,4-difluorobenzene-6-id-1-yl)-5-fluoropyridine;iridium(3+);5-(trifluoromethyl)-2-[5-(trifluoromethyl)pyridin-2-yl]pyridine;hexafluorophosphate |
InChI | InChI=1S/C12H6F6N2.2C11H5F3N.F6P.Ir/c13-11(14,15)7-1-3-9(19-5-7)10-4-2-8(6-20-10)12(16,17)18;2*12-7-1-3-9(10(14)5-7)11-4-2-8(13)6-15-11;1-7(2,3,4,5)6;/h1-6H;2*1-2,4-6H;;/q;3*-1;+3 |
InChI Key | YAONBOFRQWVDGS-UHFFFAOYSA-N |
Isomeric SMILES | C1=CC(=NC=C1C(F)(F)F)C2=NC=C(C=C2)C(F)(F)F.C1=CC(=NC=C1F)C2=C(C=C(C=[C-]2)F)F.C1=CC(=NC=C1F)C2=C(C=C(C=[C-]2)F)F.F[P-](F)(F)(F)(F)F.[Ir+3] |
Molecular Formula | C34H16F18IrN4P |
Molecular Weight | 1045.68 |
Hydrogen Bond Donor Count | 0 |
Hydrogen Bond Acceptor Count | 25 |
Rotatable Bond Count | 0 |
Exact Mass | 1046.04544 g/mol |
Monoisotopic Mass | 1046.04544 g/mol |
Topological Polar Surface Area | 51.6Ų |
Heavy Atom Count | 58 |
Formal Charge | 0 |
Complexity | 1300 |
Please kindly note that our products and services are for research use only.