Ru(II)-(S)-Pheox catalyst

Catalog Number	ACM1259070808-1
CAS	1259070-80-8
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
Hydrogen Bond Acceptor Count	13
Hydrogen Bond Donor Count	0
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