| CAS Number | 53304-63-5 |
| Catalog Number | AG01DTML |
| Chemical Name | 5-nitro-2-{3-[(5-nitropyridin-2-yl)oxy]phenoxy}pyridine |
| IUPAC Name | 5-nitro-2-[3-(5-nitropyridin-2-yl)oxyphenoxy]pyridine |
| InChI | InChI=1S/C16H10N4O6/c21-19(22)11-4-6-15(17-9-11)25-13-2-1-3-14(8-13)26-16-7-5-12(10-18-16)20(23)24/h1-10H |
| InChI Key | MMFKMKSWZFZKIE-UHFFFAOYSA-N |
| MDL Number | MFCD31803621 |
| Molecular Formula | C16H10N4O6 |
| Molecular Weight | 354.2738 |
| SMILES | [O-][N+](=O)c1ccc(Oc2cccc(Oc3ccc(cn3)[N+]([O-])=O)c2)nc1 |
| Synonyms | 53304-63-5,
2-2-[1,3-Phenylenebis(oxy)]bis[5-nitro-Pyridine],
2- 2-[1,3-phenylenebis(oxy)]bis[5-nitro- (9CI)-Pyridine,
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| Complexity | 454 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 354.06g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 26 |
| Hydrogen Bond Acceptor Count | 8 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 354.278g/mol |
| Monoisotopic Mass | 354.06g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 136A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
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Certificate of Analysis
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