HuagongsheHuagongshe Chemistry Print Report · For research reference only
1-Chlorylsulfanyl-4-nitrobenzene
Identifiers & Physical Properties
| Molecular formula | C6H4ClNO4S |
|---|---|
| Average molar mass | 221.62 g/mol |
| SMILES | C1=CC(=CC=C1[N+](=O)[O-])SCl(=O)=O |
| InChIKey | LDTLQJBIBOLLSJ-UHFFFAOYSA-N |
| PubChem CID | 20762162 |
Chemical & Physical Properties
| XLogP | 3.9 |
|---|---|
| Topological polar surface area | 105 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 5 |
| Rotatable bonds | 1 |
| Heavy atoms | 13 |
| Formal charge | 0 |
| Complexity | 240 |