Base information
| Cat. No. | |
| CAS No. | 136117-72-1 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C8H6BrClN2 |
| Molecular Weight | 245.504 |
| Exact Mass | 243.94 |
| XLogP3 | 2.8356 |
| Mr | 52.654 |
| PSA | 17.3 |
| Sequence | - |
| Atom number | 18 |
| Bond number | 19 |
| Ring number | 2 |
| Rotor number | 1 |
| Residues number | 0 |
| Canonical smiles | ClCc1cn2c(n1)ccc(c2)Br |
