Tricyclohexylphosphine(2-i-propoxy-5-nitrobenzylidene)dichlororuthenium(II) nitro-Grela 1 gen

Catalog Number	ACM625082839-1
CAS	625082-83-9
Synonyms	Grela 1st Generation
Molecular Weight	645.6
Molecular Formula	C28H44Cl2NO3PRu
Canonical SMILES	CC(C)OC1=C(C=C(C=C1)[N+](=O)[O-])C=[Ru](Cl)Cl.C1CCC(CC1)P(C2CCCCC2)C3CCCCC3
InChI	InChI=1S/C18H33P.C10H11NO3.2ClH.Ru/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-7(2)14-10-5-4-9(11(12)13)6-8(10)3;/h16-18H,1-15H2;3-7H,1-2H3;2*1H;/q;+2/p-2
InChI Key	YMAYSMFZSHFDGA-UHFFFAOYSA-L
Melting Point	>300 °C
Appearance	Brown powder
Complexity	504
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	0
Exact Mass	645.147927
Heavy Atom Count	36
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Monoisotopic Mass	645.147927
Rotatable Bond Count	6
Topological Polar Surface Area	55 Ų