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Home > Nitro Compounds > 84249-28-5
84249-28-5 | Pyridine, 3,5-dinitro-2-phenoxy-
CAS No: 84249-28-5 Catalog No: AG004OCR MDL No:
Product Description
Catalog Number:
AG004OCR
Chemical Name:
Pyridine, 3,5-dinitro-2-phenoxy-
CAS Number:
84249-28-5
Molecular Formula:
C11H7N3O5
Molecular Weight:
261.1904
IUPAC Name:
3,5-dinitro-2-phenoxypyridine
InChI:
InChI=1S/C11H7N3O5/c15-13(16)8-6-10(14(17)18)11(12-7-8)19-9-4-2-1-3-5-9/h1-7H
InChI Key:
ZNSNKCJYNBOVJT-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(cnc1Oc1ccccc1)[N+](=O)[O-]
Properties
Complexity:
334
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.039g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
261.193g/mol
Monoisotopic Mass:
261.039g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
114A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
Literature
| Title | Journal |
|---|---|
| Kinetic and equilibrium studies of sigma-adduct formation and nucleophilic substitution in the reactions of 2-phenoxy-3,5-dinitropyridine and 2-ethoxy-3,5-dinitropyridine with aliphatic amines in dipolar aprotic solvents. | Organic & biomolecular chemistry 20030321 |
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