tBuXPhos-Pd-G3

Catalog Number	ACM1447963758-1
CAS	1447963-75-8
Structure
Synonyms	[2'-(Amino)[1,1'-biphenyl]-2-yl][bis(1,1-dimethylethyl)[2',4',6'-tris(1-methylethyl)[1,1'-biphenyl]-2-yl]phosphine](methanesulfonato)palladium
Molecular Weight	795.4
Molecular Formula	C42H59NO3PPdS
Canonical SMILES	CC(C)C1=CC(=C(C(=C1)C(C)C)C2=CC=CC=C2P(C(C)(C)C)C(C)(C)C)C(C)C.CS(=O)(=O)O.C1=CC=C([C-]=C1)C2=CC=CC=C2N.[Pd]
InChI	InChI=1S/C29H45P.C12H10N.CH4O3S.Pd/c1-19(2)22-17-24(20(3)4)27(25(18-22)21(5)6)23-15-13-14-16-26(23)30(28(7,8)9)29(10,11)12;13-12-9-5-4-8-11(12)10-6-2-1-3-7-10;1-5(2,3)4;/h13-21H,1-12H3;1-6,8-9H,13H2;1H3,(H,2,3,4);/q;-1;
InChI Key	IKNBBVYTGIKLPA-UHFFFAOYSA-N
Melting Point	130-140 °C
Purity	98%
Appearance	Yellow powder
Complexity	935
Covalently-Bonded Unit Count	4
Defined Atom Stereocenter Count	0
Exact Mass	794.29881
Heavy Atom Count	49
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
Monoisotopic Mass	794.29881
Rotatable Bond Count	8
Topological Polar Surface Area	88.8 Ų