Base information
| Cat. No. | |
| CAS No. | 1289207-30-2 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C6H5BrN2 |
| Molecular Weight | 185.021 |
| Exact Mass | 183.964 |
| XLogP3 | 1.65928 |
| Mr | 38.109 |
| PSA | 28.72 |
| Sequence | - |
| Atom number | 14 |
| Bond number | 14 |
| Ring number | 1 |
| Rotor number | 0 |
| Residues number | 0 |
| Canonical smiles | Cn1cc(cc1C#N)Br |
