Base information
| Cat. No. | |
| CAS No. | 89640-03-9 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C7H6ClNO4S |
| Molecular Weight | 235.645 |
| Exact Mass | 234.971 |
| XLogP3 | 3.0096 |
| Mr | 54.2375 |
| PSA | 100.36 |
| Sequence | - |
| Atom number | 20 |
| Bond number | 20 |
| Ring number | 1 |
| Rotor number | 4 |
| Residues number | 0 |
| Canonical smiles | CCOC(=O)c1sc(c(c1)[N+](=O)[O-])Cl |
