Di-μ-chlorotetrakis[3,5-difluoro-2-(5-methyl-2-pyridinyl-κN)phenyl-κC]diiridium

• Catalog: OFC1335047330
• CAS: 1335047-33-0
• Category: Fluorinated Catalysts
• Synonyms: Di-Mu-Chlorotetrakis[3,5-Difluoro-2-(5-Methyl-2-Pyridinyl-KappaN)Phenyl-KappaC]Diiridium
• Purity: 98%

• IUPAC Name: chloroiridium(2+);2-(2,4-difluorobenzene-6-id-1-yl)-5-methylpyridine
• InChI: InChI=1S/4C12H8F2N.2ClH.2Ir/c4*1-8-2-5-12(15-7-8)10-4-3-9(13)6-11(10)14;;;;/h4*2-3,5-7H,1H3;2*1H;;/q4*-1;;;2*+3/p-2
• InChI Key: BPSUAJIYEBAJBL-UHFFFAOYSA-L
• Isomeric SMILES: CC1=CN=C(C=C1)C2=C(C=C(C=[C-]2)F)F.CC1=CN=C(C=C1)C2=C(C=C(C=[C-]2)F)F.CC1=CN=C(C=C1)C2=C(C=C(C=[C-]2)F)F.CC1=CN=C(C=C1)C2=C(C=C(C=[C-]2)F)F.Cl[Ir+2].Cl[Ir+2]

• Molecular Formula: C48H32Cl2F8Ir2N4
• Molecular Weight: 1272.11
• Appearance: Yellow solid
• Stability: Air sensitive

• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 16
• Rotatable Bond Count: 4
• Exact Mass: 1270.11114 g/mol
• Monoisotopic Mass: 1272.11348 g/mol
• Topological Polar Surface Area: 51.6Ų
• Heavy Atom Count: 64
• Formal Charge: 0
• Complexity: 344