Base information
| Cat. No. | |
| CAS No. | 648412-60-6 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C7H4BrNO2S |
| Molecular Weight | 246.081 |
| Exact Mass | 244.915 |
| XLogP3 | 2.16888 |
| Mr | 48.0135 |
| PSA | 78.33 |
| Sequence | - |
| Atom number | 16 |
| Bond number | 16 |
| Ring number | 1 |
| Rotor number | 2 |
| Residues number | 0 |
| Canonical smiles | COC(=O)c1cc(c(s1)C#N)Br |
