2-[Bis(2,4-di-tert-butyl-phenoxy)phosphinooxy]-3,5-di(tert-butyl)phenyl-palladium(II) chloride dimer

Catalog Number	ACM217189407-1
CAS	217189-40-7
Structure
Synonyms	Bedford catalyst
Molecular Weight	1577.6
Molecular Formula	C84H126Cl2O6P2Pd2
Canonical SMILES	CC(C)(C)C1=CC(=C(C=C1)OP(OC2=C(C=C(C=C2)C(C)(C)C)C(C)(C)C)OC3=C(C=C(C=[C-]3)C(C)(C)C)C(C)(C)C)C(C)(C)C.CC(C)(C)C1=CC(=C(C=C1)OP(OC2=C(C=C(C=C2)C(C)(C)C)C(C)(C)C)OC3=C(C=C(C=[C-]3)C(C)(C)C)C(C)(C)C)C(C)(C)C.[ClH+][Pd][ClH+].[Pd]
InChI	InChI=1S/2C42H62O3P.2ClH.2Pd/c2*1-37(2,3)28-19-22-34(31(25-28)40(10,11)12)43-46(44-35-23-20-29(38(4,5)6)26-32(35)41(13,14)15)45-36-24-21-30(39(7,8)9)27-33(36)42(16,17)18;/h2*19-23,25-27H,1-18H3;2*1H;/q2*-1;+2
InChI Key	BSXPIBZRJDAOCH-UHFFFAOYSA-N
Purity	99%
Appearance	White like powder
Complexity	2350
Covalently-Bonded Unit Count	4
Defined Atom Stereocenter Count	0
Exact Mass	1576.64804
Heavy Atom Count	96
Hydrogen Bond Acceptor Count	8
Hydrogen Bond Donor Count	2
Monoisotopic Mass	1574.64763
Rotatable Bond Count	24
Topological Polar Surface Area	55.4 Ų