Base information
| Cat. No. | |
| CAS No. | 117-13-5 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C14H8BrNO8S2 |
| Molecular Weight | 462.249 |
| Exact Mass | 460.887 |
| XLogP3 | 4.0429 |
| Mr | 91.571 |
| PSA | 185.66 |
| Sequence | - |
| Atom number | 34 |
| Bond number | 36 |
| Ring number | 3 |
| Rotor number | 2 |
| Residues number | 0 |
| Canonical smiles | Brc1cc(c(c2c1C(=O)c1c(C2=O)cccc1S(=O)(=O)O)N)S(=O)(=O)O |
