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Home > Pyridines > 208597-43-7
208597-43-7 | 2,2':6',2''-Terpyridine, 4'-[(diphenylphosphinyl)methyl]- (9CI)
CAS No: 208597-43-7 Catalog No: AG002JS8 MDL No:
Product Description
Catalog Number:
AG002JS8
Chemical Name:
2,2':6',2''-Terpyridine, 4'-[(diphenylphosphinyl)methyl]- (9CI)
CAS Number:
208597-43-7
Molecular Formula:
C28H22N3OP
Molecular Weight:
447.4675
IUPAC Name:
4-(diphenylphosphorylmethyl)-2,6-dipyridin-2-ylpyridine
InChI:
InChI=1S/C28H22N3OP/c32-33(23-11-3-1-4-12-23,24-13-5-2-6-14-24)21-22-19-27(25-15-7-9-17-29-25)31-28(20-22)26-16-8-10-18-30-26/h1-20H,21H2
InChI Key:
MVBAMSYDTHOUFC-UHFFFAOYSA-N
SMILES:
O=P(c1ccccc1)(c1ccccc1)Cc1cc(nc(c1)c1ccccn1)c1ccccn1
Properties
Complexity:
597
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
447.15g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
447.478g/mol
Monoisotopic Mass:
447.15g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
55.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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