Base information
| Cat. No. | |
| CAS No. | 1196-90-3 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C7H8BrNO2 |
| Molecular Weight | 218.048 |
| Exact Mass | 216.974 |
| XLogP3 | 1.5742 |
| Mr | 44.6735 |
| PSA | 31.23 |
| Sequence | - |
| Atom number | 19 |
| Bond number | 19 |
| Ring number | 1 |
| Rotor number | 2 |
| Residues number | 0 |
| Canonical smiles | Cn1cc(cc1C(=O)OC)Br |
