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Home > Pyridines > 148215-50-3
148215-50-3 | Pyridine, 2,6-bis[(diphenylphosphinyl)methyl]-, 1-oxide
CAS No: 148215-50-3 Catalog No: AG001FIN MDL No:
Product Description
Catalog Number:
AG001FIN
Chemical Name:
Pyridine, 2,6-bis[(diphenylphosphinyl)methyl]-, 1-oxide
CAS Number:
148215-50-3
Molecular Formula:
C31H27NO3P2
Molecular Weight:
523.4985
IUPAC Name:
2,6-bis(diphenylphosphorylmethyl)-1-oxidopyridin-1-ium
InChI:
InChI=1S/C31H27NO3P2/c33-32-26(24-36(34,28-16-5-1-6-17-28)29-18-7-2-8-19-29)14-13-15-27(32)25-37(35,30-20-9-3-10-21-30)31-22-11-4-12-23-31/h1-23H,24-25H2
InChI Key:
MWRHLMDSJCAWET-UHFFFAOYSA-N
SMILES:
O=P(c1ccccc1)(c1ccccc1)Cc1cccc([n+]1[O-])CP(=O)(c1ccccc1)c1ccccc1
Properties
Complexity:
686
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
523.147g/mol
Formal Charge:
0
Heavy Atom Count:
37
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
523.509g/mol
Monoisotopic Mass:
523.147g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
59.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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