Base information
| Cat. No. | |
| CAS No. | 338392-48-6 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C6H8BrN |
| Molecular Weight | 174.038 |
| Exact Mass | 172.984 |
| XLogP3 | 2.07518 |
| Mr | 36.201 |
| PSA | 23.79 |
| Sequence | - |
| Atom number | 16 |
| Bond number | 16 |
| Ring number | 1 |
| Rotor number | 2 |
| Residues number | 0 |
| Canonical smiles | BrCC1(CC1)CC#N |
