Carbonylchlorohydrido[6-(di-t-butylphosphinomethyl)-2-(N,N-diethylaminomethyl)pyridine]ruthenium(II)

Catalog Number	ACM863971624-1
CAS	863971-62-4
Structure
Synonyms	Milstein catalyst precursor
Molecular Weight	487
Molecular Formula	C20H35ClN2OPRu
Canonical SMILES	CCN(CC)CC1=NC(=CC=C1)CP(C(C)(C)C)C(C)(C)C.[C-]#[O+].Cl[Ru]
InChI	InChI=1S/C19H35N2P.CO.ClH.Ru/c1-9-21(10-2)14-16-12-11-13-17(20-16)15-22(18(3,4)5)19(6,7)8;1-2;/h11-13H,9-10,14-15H2,1-8H3;1H;/q;+1/p-1
InChI Key	ZGJCOIFATCBDOT-UHFFFAOYSA-M
Purity	97%
Appearance	Solid
Exact Mass	487.121894
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Monoisotopic Mass	487.121894
Rotatable Bond Count	8
Topological Polar Surface Area	17.1 Ų