Base information
| Cat. No. | |
| CAS No. | 76996-16-2 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C8H7BrN2S |
| Molecular Weight | 243.124 |
| Exact Mass | 241.951 |
| XLogP3 | 3.5306 |
| Mr | 56.6904 |
| PSA | 67.15 |
| Sequence | - |
| Atom number | 19 |
| Bond number | 20 |
| Ring number | 2 |
| Rotor number | 0 |
| Residues number | 0 |
| Canonical smiles | Cc1cc(Br)c2c(c1)sc(n2)N |
