HuagongsheHuagongshe Chemistry Print Report · For research reference only
N-(3,5-dichlorophenyl)alanine isobutyl ester
Identifiers & Physical Properties
| Molecular formula | C13H17Cl2NO2 |
|---|---|
| Average molar mass | 290.18 g/mol |
| SMILES | CC(C)COC(=O)[C@H](C)Nc1cc(Cl)cc(Cl)c1 |
| InChIKey | XBWORTAZXJAFCY-VIFPVBQESA-N |
| PubChem CID | 54461425 |
Chemical & Physical Properties
| XLogP | 4.8 |
|---|---|
| Topological polar surface area | 38.3 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 3 |
| Rotatable bonds | 6 |
| Heavy atoms | 18 |
| Formal charge | 0 |
| Complexity | 264 |