| CAS Number | 1546211-12-4 |
| Catalog Number | AG01DHXE |
| Chemical Name | 1-(6-(4-nitrophenoxy)pyridin-3-yl)ethanone |
| IUPAC Name | 1-[6-(4-nitrophenoxy)pyridin-3-yl]ethanone |
| InChI | InChI=1S/C13H10N2O4/c1-9(16)10-2-7-13(14-8-10)19-12-5-3-11(4-6-12)15(17)18/h2-8H,1H3 |
| InChI Key | IZGKWONXCWCUSH-UHFFFAOYSA-N |
| MDL Number | MFCD26163867 |
| Molecular Formula | C13H10N2O4 |
| Molecular Weight | 258.2295 |
| SMILES | CC(=O)c1ccc(Oc2ccc(cc2)[N+]([O-])=O)nc1 |
| Synonyms | 5-ACetyl-2-(4-nitrophenoxy) pyridine,
1-(6-(4-Nitrophenoxy)pyridin-3-yl)ethanone,
1546211-12-4,
AKOS020878950,
CS-0059931,
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| Complexity | 334 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 258.064g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 258.233g/mol |
| Monoisotopic Mass | 258.064g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 85A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
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Certificate of Analysis
Lot Number