| CAS Number | 1779998-57-0 |
| Catalog Number | AG01B4TV |
| Chemical Name | 5-Bromo-1-methyl-2-oxo-1,2-dihydropyridine-4-carboxylic acid |
| IUPAC Name | 5-bromo-1-methyl-2-oxopyridine-4-carboxylic acid |
| InChI | InChI=1S/C7H6BrNO3/c1-9-3-5(8)4(7(11)12)2-6(9)10/h2-3H,1H3,(H,11,12) |
| InChI Key | AJSDEQNLENCSFU-UHFFFAOYSA-N |
| MDL Number | MFCD30662710 |
| Molecular Formula | C7H6BrNO3 |
| Molecular Weight | 232.0314 |
| SMILES | CN1C(=O)C=C(C(O)=O)C(Br)=C1 |
| Synonyms | 5-bromo-1-methyl-2-oxo-1,2-dihydropyridine-4-carboxylic acid,
1779998-57-0,
AKOS034073297,
CS-0078650,
|
| Complexity | 306 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 230.953g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 232.033g/mol |
| Monoisotopic Mass | 230.953g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 57.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number