Base information
| Cat. No. | |
| CAS No. | 78451-13-5 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C7H8BrNO3 |
| Molecular Weight | 234.047 |
| Exact Mass | 232.969 |
| XLogP3 | 1.9222 |
| Mr | 45.2555 |
| PSA | 52.33 |
| Sequence | - |
| Atom number | 20 |
| Bond number | 20 |
| Ring number | 1 |
| Rotor number | 3 |
| Residues number | 0 |
| Canonical smiles | Cc1nc(oc1C(=O)OCC)Br |
