Base information
| Cat. No. | |
| CAS No. | 169310-98-9 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C6H8BrNO2 |
| Molecular Weight | 206.037 |
| Exact Mass | 204.974 |
| XLogP3 | 2.1442 |
| Mr | 40.468 |
| PSA | 35.26 |
| Sequence | - |
| Atom number | 18 |
| Bond number | 18 |
| Ring number | 1 |
| Rotor number | 2 |
| Residues number | 0 |
| Canonical smiles | CCOc1noc(c1Br)C |
