Chlorodicarbonyl[1-(i-PropylaMino)-2,3,4,5-tetraphenylcyclopentadienyl]ruthenium(II)

Catalog Number	ACM470688187-1
CAS	470688-18-7
Structure
Synonyms	Chlororuthenium(3+);methanone;2,3,4,5-tetraphenyl-N-propan-2-ylcyclopenta-2,4-dien-1-amine
Molecular Weight	621.1
Molecular Formula	C34H30ClNO2Ru
Canonical SMILES	CC(C)N[C-]1C(=C(C(=C1C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5.[CH-]=O.[CH-]=O.Cl[Ru+3]
InChI	InChI=1S/C32H28N.2CHO.ClH.Ru/c1-23(2)33-32-30(26-19-11-5-12-20-26)28(24-15-7-3-8-16-24)29(25-17-9-4-10-18-25)31(32)27-21-13-6-14-22-27;2*1-2;/h3-23,33H,1-2H3;2*1H;1H;/q3*-1;+4/p-1
InChI Key	KIHQSADFAGYHKF-UHFFFAOYSA-M
Melting Point	197 °C
Purity	96%
Appearance	Crystal
Exact Mass	621.100847
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	1
Monoisotopic Mass	621.100847
Rotatable Bond Count	6
Topological Polar Surface Area	46.2 Ų