Base information
| Cat. No. | |
| CAS No. | 229184-00-3 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C7H8BrNO |
| Molecular Weight | 202.049 |
| Exact Mass | 200.979 |
| XLogP3 | 1.3789 |
| Mr | 42.8718 |
| PSA | 33.12 |
| Sequence | - |
| Atom number | 18 |
| Bond number | 18 |
| Ring number | 1 |
| Rotor number | 2 |
| Residues number | 0 |
| Canonical smiles | OCCc1ccncc1Br |
