Methanesulfonato(di-t-butylneopentylphosphine)(2'-amino-1,1'-biphenyl-2-yl)palladium(II)

Catalog Number	ACM1507403895-1
CAS	1507403-89-5
Synonyms	DTBNpP Palladacycle Gen. 3
Molecular Weight	587.1
Molecular Formula	C26H43NO3PPdS
Canonical SMILES	CC(C)(C)CP(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/C13H29P.C12H10N.CH4O3S.Pd/c1-11(2,3)10-14(12(4,5)6)13(7,8)9;13-12-9-5-4-8-11(12)10-6-2-1-3-7-10;1-5(2,3)4;/h10H2,1-9H3;1-6,8-9H,13H2;1H3,(H,2,3,4);/q;-1;
InChI Key	UMRSYNNAYIQDAJ-UHFFFAOYSA-N
Purity	98%
Appearance	White to off-white powder
Complexity	608
Covalently-Bonded Unit Count	4
Defined Atom Stereocenter Count	0
Exact Mass	586.17361
Heavy Atom Count	33
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
Monoisotopic Mass	586.17361
Rotatable Bond Count	5
Topological Polar Surface Area	88.8 Ų