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66726-75-8 | Phosphonium, [1,3-phenylenebis(methylene)]bis[triphenyl-, dichloride
CAS No: 66726-75-8 Catalog No: AG006I8Q MDL No:
Product Description
Catalog Number:
AG006I8Q
Chemical Name:
Phosphonium, [1,3-phenylenebis(methylene)]bis[triphenyl-, dichloride
CAS Number:
66726-75-8
Molecular Formula:
C44H38Cl2P2
Molecular Weight:
699.6260
IUPAC Name:
triphenyl-[[3-(triphenylphosphaniumylmethyl)phenyl]methyl]phosphanium;dichloride
InChI:
InChI=1S/C44H38P2.2ClH/c1-7-22-39(23-8-1)45(40-24-9-2-10-25-40,41-26-11-3-12-27-41)35-37-20-19-21-38(34-37)36-46(42-28-13-4-14-29-42,43-30-15-5-16-31-43)44-32-17-6-18-33-44;;/h1-34H,35-36H2;2*1H/q+2;;/p-2
InChI Key:
KKKCMYAPKHMSQQ-UHFFFAOYSA-L
SMILES:
c1cc(cc(c1)C[P+](c1ccccc1)(c1ccccc1)c1ccccc1)C[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Cl-].[Cl-]
Properties
Complexity:
699
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
698.183g/mol
Formal Charge:
0
Heavy Atom Count:
48
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
699.636g/mol
Monoisotopic Mass:
698.183g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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