HuagongsheHuagongshe Chemistry Print Report · For research reference only
2-(2,5-Dichlorobenzoyl)-5-methylpyridine
2-(2,5-Dichlorobenzoyl)-5-methylpyridine · (2,5-Dichlorophenyl)(5-methylpyridin-2-yl)methanone · (2,5-Dichlorophenyl)(5-methyl-2-pyridinyl)methanone · Methanone, (2,5-dichlorophenyl)(5-methyl-2-pyridinyl)-
Identifiers & Physical Properties
| CAS No. | 1187163-58-1 |
|---|---|
| Molecular formula | C13H9Cl2NO |
| Average molar mass | 266.12 g/mol |
| Monoisotopic mass | 265.0061193 g/mol |
| SMILES | Cc1ccc(C(=O)c2cc(Cl)ccc2Cl)nc1 |
| InChIKey | MDSNCMKRQMRKAC-UHFFFAOYSA-N |
| PubChem CID | 49762051 |
Chemical & Physical Properties
| XLogP | 4.1 |
|---|---|
| Topological polar surface area | 30 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 2 |
| Rotatable bonds | 2 |
| Heavy atoms | 17 |
| Formal charge | 0 |
| Complexity | 285 |
| Boiling point | 422.5±45.0 °C(Predicted) |
| Density | 1.324±0.06 g/cm3(Predicted) |
| pKa (acidity coefficient) | 2.48±0.10(Predicted) |