Chloro(2-dicyclohexylphosphino-3,6-dimethoxy-2',4',6'-tri-i-propyl-1,1'-biphenyl)(2'-amino-1,1'-biphenyl-2-yl)palladium(II)

Catalog Number	ACM1451002393-1
CAS	1451002-39-3
Synonyms	BrettPhos Palladacycle Gen. 2
Molecular Weight	846.9
Molecular Formula	C47H63ClNO2PPd
Canonical SMILES	CC(C)C1=CC(=C(C(=C1)C(C)C)C2=C(C=CC(=C2P(C3CCCCC3)C4CCCCC4)OC)OC)C(C)C.C1=CC=C([C-]=C1)C2=CC=CC=C2N.Cl[Pd+]
InChI	InChI=1S/C35H53O2P.C12H10N.ClH.Pd/c1-23(2)26-21-29(24(3)4)33(30(22-26)25(5)6)34-31(36-7)19-20-32(37-8)35(34)38(27-15-11-9-12-16-27)28-17-13-10-14-18-28;13-12-9-5-4-8-11(12)10-6-2-1-3-7-10;/h19-25,27-28H,9-18H2,1-8H3;1-6,8-9H,13H2;1H;/q;-1;+2/p-1
InChI Key	HKSPKJBZILFTOJ-UHFFFAOYSA-M
Purity	98%
Appearance	White to off-white to gray powder
Complexity	914
Covalently-Bonded Unit Count	3
Defined Atom Stereocenter Count	0
Exact Mass	845.33198
Heavy Atom Count	53
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Monoisotopic Mass	845.33198
Rotatable Bond Count	10
Topological Polar Surface Area	44.5 Ų