Synonyms
MFCD22666039;930601-66-4;Acetonitrile(cyclopentadienyl)[2-(di-ipropylphosphino)-4-(t-butyl)-1-Me-1H-imidazole]Ru(II) PF6;
IUPAC Name
acetonitrile;(4-tert-butyl-1-methylimidazol-2-yl)-di(propan-2-yl)phosphane;cyclopenta-1,3-diene;ruthenium(1+);hexafluorophosphate;
Molecular Weight
606.54g/mol
Molecular Formula
C21H35F6N3P2Ru;
Canonical SMILES
CC#N.CC(C)P(C1=NC(=CN1C)C(C)(C)C)C(C)C.C1=C[CH]C=C1.F[P-](F)(F)(F)(F)F.[Ru+];
InChI
InChI=1S/C14H27N2P.C5H5.C2H3N.F6P.Ru/c1-10(2)17(11(3)4)13-15-12(9-16(13)8)14(5,6)7;1-2-4-5-3-1;1-2-3;1-7(2,3,4,5)6;/h9-11H,1-8H3;1-5H;1H3;;/q;;;-1;+1;
InChI Key
XHAIYVPZBQIYKW-UHFFFAOYSA-N;
Complexity
367
Covalently-Bonded Unit Count
5
Exact Mass
607.125g/mol
H-Bond Acceptor
9
Heavy Atom Count
33
Monoisotopic Mass
607.125g/mol
Rotatable Bond Count
4
Topological Polar Surface Area
41.6A^2
