HuagongsheHuagongshe Chemistry Print Report · For research reference only
N-(3-Chloro-4-nitrophenyl)-L-proline
N-(3-Chloro-4-nitrophenyl)-L-proline · L-Proline, 1-(3-chloro-4-nitrophenyl)- · (S)-1-(3-Chloro-4-nitrophenyl)pyrrolidine-2-carboxylic acid
Identifiers & Physical Properties
| CAS No. | 230642-98-5 |
|---|---|
| Molecular formula | C11H11ClN2O4 |
| Average molar mass | 270.67 g/mol |
| Monoisotopic mass | 270.0407345 g/mol |
| SMILES | O=C(O)[C@@H]1CCCN1c1ccc([N+](=O)[O-])c(Cl)c1 |
| InChIKey | BSRJMIGPGRLEBN-JTQLQIEISA-N |
| PubChem CID | 34178317 |
| DTXSID | DTXSID40653019 |
Chemical & Physical Properties
| XLogP | 2.6 |
|---|---|
| Topological polar surface area | 86.4 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 5 |
| Rotatable bonds | 2 |
| Heavy atoms | 18 |
| Formal charge | 0 |
| Complexity | 346 |
| Boiling point | 510.6±50.0 °C(Predicted) |
| Density | 1.503±0.06 g/cm3(Predicted) |
| pKa (acidity coefficient) | 3.34±0.20(Predicted) |