Base information
| Cat. No. | |
| CAS No. | 1333222-29-9 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C6H5BrN2 |
| Molecular Weight | 185.021 |
| Exact Mass | 183.964 |
| XLogP3 | 1.8821 |
| Mr | 39.823 |
| PSA | 25.78 |
| Sequence | - |
| Atom number | 14 |
| Bond number | 14 |
| Ring number | 1 |
| Rotor number | 1 |
| Residues number | 0 |
| Canonical smiles | C=Cc1ncncc1Br |
