| CAS Number | 1211586-66-1 |
| Catalog Number | AG01FPX5(AGN-PC-3H5P6A) |
| Chemical Name | 5-Bromo-4-methoxypicolinic Acid |
| IUPAC Name | 5-bromo-4-methoxypyridine-2-carboxylic acid |
| InChI | InChI=1S/C7H6BrNO3/c1-12-6-2-5(7(10)11)9-3-4(6)8/h2-3H,1H3,(H,10,11) |
| InChI Key | WETHWISOHPPPGT-UHFFFAOYSA-N |
| MDL Number | MFCD18257512 |
| Molecular Formula | C7H6BrNO3 |
| Molecular Weight | 232.0314 |
| SMILES | COC1=C(Br)C=NC(C(O)=O)=C1 |
| Synonyms | 5-Bromo-4-methoxypicolinic acid,
1211586-66-1,
SCHEMBL18340536,
AKOS023832439,
5-bromo-4-methoxypyridine-2-carboxylic acid,
F1957-0540,
|
| Complexity | 176 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 230.95311g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 232.03g/mol |
| Monoisotopic Mass | 230.95311g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 59.4Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number