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

Catalog Number ACM808142894-2
CAS 808142-89-4
Synonyms Chloroiridium(2+);2-(4-fluorobenzene-6-id-1-yl)-5-methylpyridine
Molecular Weight 1200.2
Molecular Formula C48H36Cl2F4Ir2N4
Canonical SMILES CC1=CN=C(C=C1)C2=[C-]C=C(C=C2)F.CC1=CN=C(C=C1)C2=[C-]C=C(C=C2)F.CC1=CN=C(C=C1)C2=[C-]C=C(C=C2)F.CC1=CN=C(C=C1)C2=[C-]C=C(C=C2)F.Cl[Ir+2].Cl[Ir+2]
InChI InChI=1S/4C12H9FN.2ClH.2Ir/c4*1-9-2-7-12(14-8-9)10-3-5-11(13)6-4-10;/h4*2-3,5-8H,1H3;2*1H;/q4*-1;2*+3/p-2
InChI Key ZFAURIUUHKIBFW-UHFFFAOYSA-L
Purity 98%
Appearance Yellow solid
Complexity 678
Covalently-Bonded Unit Count 6
Defined Atom Stereocenter Count 0
Exact Mass 1198.14883
Heavy Atom Count 60
Hydrogen Bond Acceptor Count 12
Hydrogen Bond Donor Count 0
Monoisotopic Mass 1200.15116
Rotatable Bond Count 0
Topological Polar Surface Area 51.6 Ų

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