HuagongsheHuagongshe Chemistry Print Report · For research reference only
2-[(4-Chloro-2-nitrophenyl)amino]-2-methylpropan-1-ol
![2-[(4-Chloro-2-nitrophenyl)amino]-2-methylpropan-1-ol molecular structure](/img/chemical/2829608.png)
Identifiers & Physical Properties
| CAS No. | 5139-30-0 |
|---|---|
| Molecular formula | C10H13ClN2O3 |
| Average molar mass | 244.67 g/mol |
| Monoisotopic mass | 244.06147 g/mol |
| SMILES | CC(C)(CO)Nc1ccc(Cl)cc1[N+](=O)[O-] |
| InChIKey | TUJXRTYLPBNKML-UHFFFAOYSA-N |
| PubChem CID | 2829608 |
| DTXSID | DTXSID40965700 |
Chemical & Physical Properties
| XLogP | 2.8 |
|---|---|
| Topological polar surface area | 78.1 |
| Hydrogen bond donors | 2 |
| Hydrogen bond acceptors | 4 |
| Rotatable bonds | 3 |
| Heavy atoms | 16 |
| Formal charge | 0 |
| Complexity | 255 |