| CAS Number | 1256810-07-7 |
| Catalog Number | AG01B1T3(AGN-PC-0WOTXY) |
| Chemical Name | 6-Bromo-5-methoxynicotinic acid |
| IUPAC Name | 6-bromo-5-methoxypyridine-3-carboxylic acid |
| InChI | InChI=1S/C7H6BrNO3/c1-12-5-2-4(7(10)11)3-9-6(5)8/h2-3H,1H3,(H,10,11) |
| InChI Key | AQZZZZIRQPMGSY-UHFFFAOYSA-N |
| MDL Number | MFCD18257274 |
| Molecular Formula | C7H6BrNO3 |
| Molecular Weight | 232.0314 |
| SMILES | COC1=C(Br)N=CC(=C1)C(=O)O |
| Synonyms | 6-bromo-5-methoxypyridine-3-carboxylic acid,
1256810-07-7,
6-Bromo-5-methoxynicotinic acid,
SCHEMBL18339768,
6-?bromo-?5-?methoxynicotinic acid,
MFCD18257274,
ZINC88190164,
AKOS026743465,
NE46366,
Z2216720839,
|
| 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