| CAS Number | 1355229-33-2 |
| Catalog Number | AG01DD0J |
| Chemical Name | Methyl 6-bromo-4-methylnicotinate |
| IUPAC Name | methyl 6-bromo-4-methylpyridine-3-carboxylate |
| InChI | InChI=1S/C8H8BrNO2/c1-5-3-7(9)10-4-6(5)8(11)12-2/h3-4H,1-2H3 |
| InChI Key | MVKUMSLPYGYPPO-UHFFFAOYSA-N |
| MDL Number | MFCD21087967 |
| Molecular Formula | C8H8BrNO2 |
| Molecular Weight | 230.0586 |
| SMILES | COC(C1=C(C)C=C(Br)N=C1)=O |
| Synonyms | 1355229-33-2,
Methyl 6-bromo-4-methylnicotinate,
Methyl 6-bromo-4-methylpyridine-3-carboxylate,
MFCD21087967,
ZINC72222945,
AKOS027425464,
Z-2731,
|
| Complexity | 174 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 228.974g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 230.061g/mol |
| Monoisotopic Mass | 228.974g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 39.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number