Chlorocarbonylhydrido[4,5-bis-(di-i-propylphosphinomethyl)acridine]ruthenium(II)

Catalog Number	ACM1101230254-1
CAS	1101230-25-4
Synonyms	Milstein acridine catalyst
Molecular Weight	604.1
Molecular Formula	C28H39ClNOP2Ru
Canonical SMILES	CC(C)P(CC1=CC=CC2=C1N=C3C(=C2)C=CC=C3CP(C(C)C)C(C)C)C(C)C.[C-](=O)Cl.[Ru+]
InChI	InChI=1S/C27H39NP2.CClO.Ru/c1-18(2)29(19(3)4)16-24-13-9-11-22-15-23-12-10-14-25(27(23)28-26(22)24)17-30(20(5)6)21(7)8;2-1-3;/h9-15,18-21H,16-17H2,1-8H3;/q;-1;+1
InChI Key	DECHTCVTSDHHFA-UHFFFAOYSA-N
Purity	98%
Appearance	Orange solid
Complexity	473
Covalently-Bonded Unit Count	3
Defined Atom Stereocenter Count	0
Exact Mass	604.123882
Heavy Atom Count	34
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Monoisotopic Mass	604.123882
Rotatable Bond Count	8
Topological Polar Surface Area	30 Ų