Base information
| Cat. No. | |
| CAS No. | 1038920-08-9 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C6H6BrClN2 |
| Molecular Weight | 221.482 |
| Exact Mass | 219.94 |
| XLogP3 | 2.9693 |
| Mr | 46.3174 |
| PSA | 38.91 |
| Sequence | - |
| Atom number | 16 |
| Bond number | 16 |
| Ring number | 1 |
| Rotor number | 0 |
| Residues number | 0 |
| Canonical smiles | Brc1cc(C)c(c(n1)Cl)N |
