Grubbs catalyst 2nd generation

Catalog Number	ACM246047723-2
CAS	246047-72-3
Structure
Synonyms	Tricyclohexylphosphine[1,3-bis(2,4,6-trimethylphenyl)-4,5-dihydroimidazol-2-ylidene][benzylidine]Ruthenium(IV)dichloride
IUPAC Name	benzylidene-[1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ylidene]-dichlororuthenium;tricyclohexylphosphane
Molecular Weight	848.97
Molecular Formula	C46H65Cl2N2PRu
Canonical SMILES	CC1=CC(=C(C(=C1)C)N2CCN(C2=[Ru](=CC3=CC=CC=C3)(Cl)Cl)C4=C(C=C(C=C4C)C)C)C.C1CCC(CC1)P(C2CCCCC2)C3CCCCC3
InChI	InChI=1S/C21H26N2.C18H33P.C7H6.2ClH.Ru/c1-14-9-16(3)20(17(4)10-14)22-7-8-23(13-22)21-18(5)11-15(2)12-19(21)6;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-7-5-3-2-4-6-7;/h9-12H,7-8H2,1-6H3;16-18H,1-15H2;1-6H;2*1H;/q;+2/p-2
InChI Key	FCDPQMAOJARMTG-UHFFFAOYSA-L
Melting Point	143-148 °C
Purity	97%
Appearance	Powder
Complexity	927
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	0
Exact Mass	848.330583
Heavy Atom Count	52
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
MDL Number	MFCD03453237
Monoisotopic Mass	848.330583
Rotatable Bond Count	6
Topological Polar Surface Area	6.5 Ų