Base information
| Cat. No. | |
| CAS No. | 1187928-41-1 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C9H6BrNO2S |
| Molecular Weight | 272.118 |
| Exact Mass | 270.93 |
| XLogP3 | 2.8454 |
| Mr | 58.5995 |
| PSA | 67.43 |
| Sequence | - |
| Atom number | 20 |
| Bond number | 21 |
| Ring number | 2 |
| Rotor number | 2 |
| Residues number | 0 |
| Canonical smiles | COC(=O)c1nc2c(s1)cc(cc2)Br |
