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2,6-Bis(di-tert-butylphosphinoxy)phenylchlorohydroiridium(III)

Catalog Number
ACM671789610-1
Product Name
2,6-Bis(di-tert-butylphosphinoxy)phenylchlorohydroiridium(III)
CAS
671789-61-0
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Synonyms
Ditert-butyl-(3-ditert-butylphosphanyloxybenzene-2-id-1-yl)oxyphosphane;hydride;iridium(3+);chloride
IUPAC Name
ditert-butyl-(3-ditert-butylphosphanyloxybenzene-2-id-1-yl)oxyphosphane;hydride;iridium(3+);chloride;
Molecular Weight
626.17
Molecular Formula
C22H40ClIrO2P2
SMILES
[H-].CC(C)(C)P(C(C)(C)C)OC1=[C-]C(=CC=C1)OP(C(C)(C)C)C(C)(C)C.[Cl-].[Ir+3]
InChI
InChI=1S/C22H39O2P2.ClH.Ir.H/c1-19(2,3)25(20(4,5)6)23-17-14-13-15-18(16-17)24-26(21(7,8)9)22(10,11)12;/h13-15H,1-12H3;1H;/q-1;+3;-1/p-1
InChI Key
HELSKPCZFUCUCP-UHFFFAOYSA-M
Purity
98%+
Appearance
Orange to brown powder to crystal
Complexity
500
Covalently-Bonded Unit Count
4
Defined Atom Stereocenter Count
0
Exact Mass
626.18213
H-Bond Acceptor
5
Heavy Atom Count
28
Monoisotopic Mass
626.18213
Rotatable Bond Count
8
Topological Polar Surface Area
18.5 Ų
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