Synonyms
Tetrakis(acetonitrile)[2-[(4S)-4,5-dihydro-4-phenyl-2-oxazolyl-N]phenyl]ruthenium(II) hexafluorophosphate
Molecular Weight
632.51
Molecular Formula
C23H24F6N5OPRu
Canonical SMILES
CC#N.CC#N.CC#N.CC#N.C1C(N=C(O1)C2=CC=CC=[C]2)C3=CC=CC=C3.F[P-](F)(F)(F)(F)F.[Ru+]
InChI
InChI=1S/C15H12NO.4C2H3N.F6P.Ru/c1-3-7-12(8-4-1)14-11-17-15(16-14)13-9-5-2-6-10-13;4*1-2-3;1-7(2,3,4,5)6;/h1-9,14H,11H2;4*1H3;/q;-1;+1/t14-;/m1/s1
InChI Key
MFYKDMZDJHSTQM-YEYOTXFRSA-N
Melting Point
92-93 °C
Purity
97%
Appearance
Light yellow to amber to dark green powder to crystal
Complexity
373
Covalently-Bonded Unit Count
7
Defined Atom Stereocenter Count
1
Exact Mass
633.066607
Heavy Atom Count
37
Isomeric SMILES
CC#N.CC#N.CC#N.CC#N.C1[C@@H](N=C(O1)C2=CC=CC=[C]2)C3=CC=CC=C3.F[P-](F)(F)(F)(F)F.[Ru+]
Monoisotopic Mass
633.066607
Rotatable Bond Count
2
Topological Polar Surface Area
117 Ų
