Synonyms
34387-57-0;(Acetonitrile)trichlorobis(triphenylphosphine)rhenium(III);DTXSID40578819;PUBCHEM_15844585;(Acetonitrile)trichlorobis(triphenylphosphine)rhenium(III), 97%;
IUPAC Name
acetonitrile;trichlororhenium;triphenylphosphane;
Molecular Weight
858.194g/mol
Molecular Formula
C38H33Cl3NP2Re;
Canonical SMILES
CC#N.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.Cl[Re](Cl)Cl;
InChI
InChI=1S/2C18H15P.C2H3N.3ClH.Re/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2-3;;;;/h2*1-15H;1H3;3*1H;/q;;;;;;+3/p-3;
InChI Key
SEHZOVVCPGBXNW-UHFFFAOYSA-K;
Complexity
239
Covalently-Bonded Unit Count
4
Exact Mass
857.071g/mol
H-Bond Acceptor
1
Heavy Atom Count
45
Monoisotopic Mass
857.071g/mol
Rotatable Bond Count
6
Topological Polar Surface Area
23.8A^2
