| CAS Number | 1823949-14-9 |
| Catalog Number | AG01ELTJ |
| Chemical Name | methyl 5-bromo-6-oxo-5,6-dihydropyridazine-3-carboxylate |
| IUPAC Name | methyl 4-bromo-3-oxo-4H-pyridazine-6-carboxylate |
| InChI | InChI=1S/C6H5BrN2O3/c1-12-6(11)4-2-3(7)5(10)9-8-4/h2-3H,1H3 |
| InChI Key | MFMRWTKCQQYAMD-UHFFFAOYSA-N |
| MDL Number | MFCD27921232 |
| Molecular Formula | C6H5BrN2O3 |
| Molecular Weight | 233.0195 |
| SMILES | COC(C1N=NC(=O)C(Br)C=1)=O |
| Synonyms | METHYL 5-BROMO-6-OXO-5,6-DIHYDROPYRIDAZINE-3-CARBOXYLATE,
1823949-14-9,
|
| Complexity | 285 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 231.948g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 233.021g/mol |
| Monoisotopic Mass | 231.948g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 68.1A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number