| CAS Number | 1211586-89-8 |
| Catalog Number | AG01DYI8 |
| Chemical Name | 3-bromo-2-methoxypyridine-4-carboxylic acid |
| IUPAC Name | 3-bromo-2-methoxypyridine-4-carboxylic acid |
| InChI | InChI=1S/C7H6BrNO3/c1-12-6-5(8)4(7(10)11)2-3-9-6/h2-3H,1H3,(H,10,11) |
| InChI Key | REQHJNBQZVJWSZ-UHFFFAOYSA-N |
| MDL Number | MFCD13185809 |
| Molecular Formula | C7H6BrNO3 |
| Molecular Weight | 232.0314 |
| SMILES | COC1=C(Br)C(C(O)=O)=CC=N1 |
| Synonyms | 3-bromo-2-methoxyisonicotinic acid,
1211586-89-8,
3-Bromo-2-methoxy-4-pyridinecarboxylic acid,
|
| Complexity | 176 |
| 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 | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 232.033g/mol |
| Monoisotopic Mass | 230.953g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 59.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number