| CAS Number | 1609646-56-1 |
| Catalog Number | AG019ELI(AGN-PC-0WG48L) |
| Chemical Name | 2-Bromo-6-Carboxy-1-Oxo-1,2-Dihydropyridin-1-Ium |
| IUPAC Name | 2-bromo-1-oxo-2H-pyridin-1-ium-6-carboxylic acid |
| InChI | InChI=1S/C6H4BrNO3/c7-5-3-1-2-4(6(9)10)8(5)11/h1-3,5H/p+1 |
| InChI Key | IWZAAWIFVRILMQ-UHFFFAOYSA-O |
| MDL Number | MFCD30471839 |
| Molecular Formula | C6H5BrNO3 |
| Molecular Weight | 219.0128 |
| SMILES | OC(=O)C1=CC=CC([N+]1=O)Br |
| Synonyms | 1609646-56-1,
2-BROMO-6-CARBOXY-1-OXO-1,2-DIHYDROPYRIDIN-1-IUM,
MFCD30471839,
2-Bromo-6-Carboxy-1-Oxo-1,2-Dihydropyridin-1-Ium(WXC03285),
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| Complexity | 269 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 217.945g/mol |
| Formal Charge | 1 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 219.014g/mol |
| Monoisotopic Mass | 217.945g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 57.4A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
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Certificate of Analysis
Lot Number