Base information
| Cat. No. | |
| CAS No. | 81090-31-5 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C8H10BrN |
| Molecular Weight | 200.076 |
| Exact Mass | 199 |
| XLogP3 | 2.8722 |
| Mr | 48.4137 |
| PSA | 12.03 |
| Sequence | - |
| Atom number | 20 |
| Bond number | 20 |
| Ring number | 1 |
| Rotor number | 1 |
| Residues number | 0 |
| Canonical smiles | CNc1ccc(cc1Br)C |
