Base information
| Cat. No. | |
| CAS No. | 40472-88-6 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C8H8BrN |
| Molecular Weight | 198.06 |
| Exact Mass | 196.984 |
| XLogP3 | 2.8772 |
| Mr | 46.835 |
| PSA | 12.89 |
| Sequence | - |
| Atom number | 18 |
| Bond number | 18 |
| Ring number | 1 |
| Rotor number | 1 |
| Residues number | 0 |
| Canonical smiles | CC(=C)c1cc(Br)cnc1 |
