Synonyms
MFCD28144558;Bis(triphenylphospino)(2-methylphenyl)chloronickel(II);27057-09-6;
IUPAC Name
chloronickel;methylbenzene;triphenylphosphanium;
Molecular Weight
711.876g/mol
Molecular Formula
C43H39ClNiP2+;
Canonical SMILES
CC1=CC=CC=[C-]1.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.C7H7.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;1-7-5-3-2-4-6-7;;/h2*1-15H;2-5H,1H3;1H;/q;;-1;;+1/p+1;
InChI Key
BNEHQBISUSMIRX-UHFFFAOYSA-O;
Storage
2-8°C
Complexity
725
Covalently-Bonded Unit Count
4
Exact Mass
710.157g/mol
Formal Charge
1
H-Bond Acceptor
1
Heavy Atom Count
47
Monoisotopic Mass
710.157g/mol
Rotatable Bond Count
6
Topological Polar Surface Area
0A^2
