HuagongsheHuagongshe Chemistry Print Report · For research reference only
N-(4-Fluorophenyl)-6-nitro-2-benzothiazolamine

Identifiers & Physical Properties
| CAS No. | 348-38-9 |
|---|---|
| Molecular formula | C13H8FN3O2S |
| Average molar mass | 289.29 g/mol |
| Monoisotopic mass | 289.03212584 g/mol |
| SMILES | O=[N+]([O-])c1ccc2nc(Nc3ccc(F)cc3)sc2c1 |
| InChIKey | XWVHMDVSGXZPAL-UHFFFAOYSA-N |
| PubChem CID | 56575673 |
| DTXSID | DTXSID501247248 |
Chemical & Physical Properties
| XLogP | 4.4 |
|---|---|
| Topological polar surface area | 99 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 6 |
| Rotatable bonds | 2 |
| Heavy atoms | 20 |
| Formal charge | 0 |
| Complexity | 360 |