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Home > Nitro Compounds > 80944-63-4
80944-63-4 | 5-NITRO-PYRIDIN-2-YL DIPHENYLPHOSPHINATE
CAS No: 80944-63-4 Catalog No: AG005HV9 MDL No:
Product Description
Catalog Number:
AG005HV9
Chemical Name:
5-NITRO-PYRIDIN-2-YL DIPHENYLPHOSPHINATE
CAS Number:
80944-63-4
Molecular Formula:
C17H13N2O4P
Molecular Weight:
340.2699
IUPAC Name:
2-diphenylphosphoryloxy-5-nitropyridine
InChI:
InChI=1S/C17H13N2O4P/c20-19(21)14-11-12-17(18-13-14)23-24(22,15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-13H
InChI Key:
GQWLWXRYRKNILE-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(nc1)OP(=O)(c1ccccc1)c1ccccc1
Properties
Complexity:
448
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
340.061g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
340.275g/mol
Monoisotopic Mass:
340.061g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
85A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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