Base information
| Cat. No. | |
| CAS No. | 111218-89-4 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C8H5BrClN3 |
| Molecular Weight | 258.502 |
| Exact Mass | 256.936 |
| XLogP3 | 3.2091 |
| Mr | 56.6524 |
| PSA | 51.8 |
| Sequence | - |
| Atom number | 18 |
| Bond number | 19 |
| Ring number | 2 |
| Rotor number | 0 |
| Residues number | 0 |
| Canonical smiles | Brc1ccc2c(c1)c(N)nc(n2)Cl |
