| CAS Number | 1393576-22-1 |
| Catalog Number | AG01C458 |
| Chemical Name | 5-BROMO-2-CHLORO-4-METHYLPYRIDINE-3-CARBOXYLIC ACID |
| IUPAC Name | 5-bromo-2-chloro-4-methylpyridine-3-carboxylic acid |
| InChI | InChI=1S/C7H5BrClNO2/c1-3-4(8)2-10-6(9)5(3)7(11)12/h2H,1H3,(H,11,12) |
| InChI Key | XQOXDWRAWWPLNW-UHFFFAOYSA-N |
| MDL Number | MFCD22544173 |
| Molecular Formula | C7H5BrClNO2 |
| Molecular Weight | 250.4771 |
| SMILES | O=C(O)C1=C(Cl)N=CC(Br)=C1C |
| Synonyms | 1393576-22-1,
5-BROMO-2-CHLORO-4-METHYLNICOTINIC ACID,
5-bromo-2-chloro-4-methylpyridine-3-carboxylic acid,
SCHEMBL3450931,
ZINC95764292,
AB77318,
|
| Complexity | 190 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 248.919g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 250.476g/mol |
| Monoisotopic Mass | 248.919g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 50.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number