HuagongsheHuagongshe Chemistry Print Report · For research reference only
1-(5-Chloropentyl)-3-(3,4-dichlorophenyl)urea
Identifiers & Physical Properties
| CAS No. | 647824-99-5 |
|---|---|
| Molecular formula | C12H15Cl3N2O |
| Average molar mass | 309.6 g/mol |
| Monoisotopic mass | 308.024996 g/mol |
| SMILES | O=C(NCCCCCCl)Nc1ccc(Cl)c(Cl)c1 |
| InChIKey | RMWAPYKLFIRCHX-UHFFFAOYSA-N |
| PubChem CID | 2777036 |
| DTXSID | DTXSID70380341 |
Chemical & Physical Properties
| XLogP | 4.8 |
|---|---|
| Topological polar surface area | 41.1 |
| Hydrogen bond donors | 2 |
| Hydrogen bond acceptors | 1 |
| Rotatable bonds | 6 |
| Heavy atoms | 18 |
| Formal charge | 0 |
| Complexity | 253 |