HuagongsheHuagongshe Chemistry Print Report · For research reference only
4,6-Dichloro-5-methoxy-2-(methylsulfonyl)pyrimidine
Identifiers & Physical Properties
| CAS No. | 142596-34-7 |
|---|---|
| Molecular formula | C6H6Cl2N2O3S |
| Average molar mass | 257.09 g/mol |
| Monoisotopic mass | 255.9476186 g/mol |
| SMILES | COc1c(Cl)nc(S(C)(=O)=O)nc1Cl |
| InChIKey | BDXYRSZYDFNASR-UHFFFAOYSA-N |
| PubChem CID | 85649785 |
| DTXSID | DTXSID901224737 |
Chemical & Physical Properties
| XLogP | 1.7 |
|---|---|
| Topological polar surface area | 77.5 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 5 |
| Rotatable bonds | 2 |
| Heavy atoms | 14 |
| Formal charge | 0 |
| Complexity | 280 |