Base information
| Cat. No. | |
| CAS No. | 1001414-95-4 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C6H8BrClN2 |
| Molecular Weight | 223.498 |
| Exact Mass | 221.956 |
| XLogP3 | 2.8051 |
| Mr | 46.5754 |
| PSA | 38.91 |
| Sequence | - |
| Atom number | 18 |
| Bond number | 17 |
| Ring number | 1 |
| Rotor number | 1 |
| Residues number | 0 |
| Canonical smiles | NCc1cc(Br)ccn1.Cl |
