HuagongsheHuagongshe Chemistry Print Report · For research reference only
4,5-Dichloro-2-(3-methylbenzyl)pyridazin-3(2h)-one
Identifiers & Physical Properties
| CAS No. | 5353-29-7 |
|---|---|
| Molecular formula | C12H10Cl2N2O |
| Average molar mass | 269.12 g/mol |
| Monoisotopic mass | 268.0170183 g/mol |
| SMILES | Cc1cccc(Cn2ncc(Cl)c(Cl)c2=O)c1 |
| InChIKey | GKYCIQYGTIUXRJ-UHFFFAOYSA-N |
| PubChem CID | 779647 |
| ChEMBL | CHEMBL1602084 |
| DTXSID | DTXSID60968278 |
Chemical & Physical Properties
| XLogP | 3 |
|---|---|
| Topological polar surface area | 32.7 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 2 |
| Rotatable bonds | 2 |
| Heavy atoms | 17 |
| Formal charge | 0 |
| Complexity | 379 |