Base information
| Cat. No. | |
| CAS No. | 53645-95-7 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C8H5BrN2S |
| Molecular Weight | 241.108 |
| Exact Mass | 239.936 |
| XLogP3 | 2.9676 |
| Mr | 53.045 |
| PSA | 54.02 |
| Sequence | - |
| Atom number | 17 |
| Bond number | 18 |
| Ring number | 2 |
| Rotor number | 1 |
| Residues number | 0 |
| Canonical smiles | Brc1nnc(s1)c1ccccc1 |
