Chloro{(S)-(-)-5,5'-bis[di(3,5-xylyl)phosphino]-4,4'-bi-1,3-benzodioxole} (p-cymene)ruthenium(II)chloride[RuCl(p-cymene)((S)-dm-segphos)]Cl

Catalog Number	ACM944451314-1
CAS	944451-31-4
Molecular Weight	1029
Molecular Formula	C56H58Cl2O4P2Ru
Canonical SMILES	CC1=CC=C(C=C1)C(C)C.CC1=CC(=CC(=C1)P(C2=C(C3=C(C=C2)OCO3)C4=C(C=CC5=C4OCO5)P(C6=CC(=CC(=C6)C)C)C7=CC(=CC(=C7)C)C)C8=CC(=CC(=C8)C)C)C.Cl[Ru]Cl
InChI	InChI=1S/C46H44O4P2.C10H14.2ClH.Ru/c1-27-13-28(2)18-35(17-27)51(36-19-29(3)14-30(4)20-36)41-11-9-39-45(49-25-47-39)43(41)44-42(12-10-40-46(44)50-26-48-40)52(37-21-31(5)15-32(6)22-37)38-23-33(7)16-34(8)24-38;1-8(2)10-6-4-9(3)5-7-10;/h9-24H,25-26H2,1-8H3;4-8H,1-3H3;2*1H;/q;+2/p-2
InChI Key	LLNJPFQWQJQPEH-UHFFFAOYSA-L
Melting Point	>100 °C
Purity	98%
Appearance	Powder
Exact Mass	1028.22308
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Monoisotopic Mass	1028.22308
Rotatable Bond Count	8
Topological Polar Surface Area	36.9 Ų