HuagongsheHuagongshe Chemistry Print Report · For research reference only
1-(4-Amino-5-chloro-2-methoxyphenyl)-5-chloropentan-1-one
Identifiers & Physical Properties
| Molecular formula | C12H15Cl2NO2 |
|---|---|
| Average molar mass | 276.16 g/mol |
| Monoisotopic mass | 275.0479841 g/mol |
| SMILES | COc1cc(N)c(Cl)cc1C(=O)CCCCCl |
| InChIKey | RDFIUUIPWMZJKJ-UHFFFAOYSA-N |
| PubChem CID | 19081908 |
Chemical & Physical Properties
| XLogP | 2.8 |
|---|---|
| Topological polar surface area | 52.3 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 3 |
| Rotatable bonds | 6 |
| Heavy atoms | 17 |
| Formal charge | 0 |
| Complexity | 251 |