Base information
| Cat. No. | |
| CAS No. | 656827-76-8 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C8H10BrNO |
| Molecular Weight | 216.075 |
| Exact Mass | 214.995 |
| XLogP3 | 1.769 |
| Mr | 47.6788 |
| PSA | 33.12 |
| Sequence | - |
| Atom number | 21 |
| Bond number | 21 |
| Ring number | 1 |
| Rotor number | 3 |
| Residues number | 0 |
| Canonical smiles | OCCCc1ccc(nc1)Br |
