Base information
| Cat. No. | |
| CAS No. | 6655-80-7 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C6H6ClN3O4S |
| Molecular Weight | 251.648 |
| Exact Mass | 250.977 |
| XLogP3 | 3.0954 |
| Mr | 54.0701 |
| PSA | 126.39 |
| Sequence | - |
| Atom number | 21 |
| Bond number | 21 |
| Ring number | 1 |
| Rotor number | 3 |
| Residues number | 0 |
| Canonical smiles | NNS(=O)(=O)c1ccc(c(c1)[N+](=O)[O-])Cl |
