Synonyms
SCHEMBL433849;MFCD29059929;Chlorobis(triphenylphosphino)phenylnickel(II);33571-43-6;
IUPAC Name
benzene;chloronickel;triphenylphosphanium;
Molecular Weight
697.849g/mol
Molecular Formula
C42H37ClNiP2+;
Canonical SMILES
C1=CC=[C-]C=C1.C1=CC=C(C=C1)[PH+](C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)[PH+](C2=CC=CC=C2)C3=CC=CC=C3.Cl[Ni];
InChI
InChI=1S/2C18H15P.C6H5.ClH.Ni/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2-4-6-5-3-1;;/h2*1-15H;1-5H;1H;/q;;-1;;+1/p+1;
InChI Key
KUYSUXXZQZYIIX-UHFFFAOYSA-O;
Complexity
668
Covalently-Bonded Unit Count
4
Exact Mass
696.141g/mol
Formal Charge
1
H-Bond Acceptor
1
Heavy Atom Count
46
Monoisotopic Mass
696.141g/mol
Rotatable Bond Count
6
Topological Polar Surface Area
0A^2
