Base information
| Cat. No. | |
| CAS No. | 67643-31-6 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C13H12BrNO3 |
| Molecular Weight | 310.143 |
| Exact Mass | 309 |
| XLogP3 | 3.188 |
| Mr | 72.5185 |
| PSA | 59.42 |
| Sequence | - |
| Atom number | 30 |
| Bond number | 31 |
| Ring number | 2 |
| Rotor number | 3 |
| Residues number | 0 |
| Canonical smiles | CCOC(=O)c1cnc2c(c1O)cc(cc2C)Br |
