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

Catalog Number	ACM671789610-1
CAS	671789-61-0
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
Canonical 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
Heavy Atom Count	28
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
Monoisotopic Mass	626.18213
Rotatable Bond Count	8
Topological Polar Surface Area	18.5 Ų