Base information
| Cat. No. | |
| CAS No. | 80353-98-6 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C8H7BrN2O2S |
| Molecular Weight | 275.122 |
| Exact Mass | 273.941 |
| XLogP3 | 2.335 |
| Mr | 56.8555 |
| PSA | 71.84 |
| Sequence | - |
| Atom number | 21 |
| Bond number | 22 |
| Ring number | 2 |
| Rotor number | 3 |
| Residues number | 0 |
| Canonical smiles | CCOC(=O)c1cn2c(n1)sc(c2)Br |