| CAS Number | 562099-10-9 |
| Catalog Number | AG01FTTR(AGN-PC-0SKZZT) |
| Chemical Name | Bis[3,5-difluoro-2-(2-pyridinyl-κN)phenyl-κC](2,2,6,6-tetramethyl-3,5-heptanedionato-κO,κO')iridium(III) |
| IUPAC Name | 2-(2,4-difluorobenzene-6-id-1-yl)pyridine;(Z)-5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;iridium |
| InChI | InChI=1S/2C11H6F2N.C11H20O2.Ir/c2*12-8-4-5-9(10(13)7-8)11-3-1-2-6-14-11;1-10(2,3)8(12)7-9(13)11(4,5)6;/h2*1-4,6-7H;7,12H,1-6H3;/q2*-1;;/b;;8-7-; |
| InChI Key | PYXVTIFTFZWJMC-JKSWPDJKSA-N |
| MDL Number | MFCD32201266 |
| Molecular Formula | C33H31F4IrN2O2 |
| Molecular Weight | 755.8221 |
| SMILES | FC=1C=C(F)C=2C=3C=CC=C[N]3[Ir+3]45(O=C([CH-]C(=O4)C(C)(C)C)C(C)(C)C)([C-]2C1)[C-]=6C=C(F)C=C(F)C6C=7C=CC=C[N]75 |
| Synonyms | 562099-10-9,
Bis[3,5-difluoro-2-(2-pyridinyl-?N)phenyl-?C](2,2,6,6-tetramethyl-3,5-heptanedionato-?O,?O')iridium(III), min. 98%@CRLF562099-10-9,
|
| Complexity | 1090 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 4 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Exact Mass | 757.20291g/mol |
| Formal Charge | -2 |
| Heavy Atom Count | 42 |
| Hydrogen Bond Acceptor Count | 10 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 756.8g/mol |
| Monoisotopic Mass | 757.20291g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 63.1Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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