| CAS Number | 2140305-71-9 |
| Catalog Number | AG01EHAP(AGN-PC-3H45G4) |
| Chemical Name | methyl 3-bromo-6-hydroxy-5-nitropyridine-2-carboxylate |
| IUPAC Name | methyl 3-bromo-5-nitro-6-oxo-1H-pyridine-2-carboxylate |
| InChI | InChI=1S/C7H5BrN2O5/c1-15-7(12)5-3(8)2-4(10(13)14)6(11)9-5/h2H,1H3,(H,9,11) |
| InChI Key | OKZSPXOINPXAPB-UHFFFAOYSA-N |
| MDL Number | MFCD30834391 |
| Molecular Formula | C7H5BrN2O5 |
| Molecular Weight | 277.0290 |
| SMILES | COC(=O)c1nc(O)c(cc1Br)[N+](=O)[O-] |
| Synonyms | methyl 3-bromo-6-hydroxy-5-nitropyridine-2-carboxylate,
2140305-71-9,
|
| Complexity | 406 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 275.938g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 277.03g/mol |
| Monoisotopic Mass | 275.938g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 101A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.7 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number