Base information
| Cat. No. | |
| CAS No. | 54370-00-2 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C9H11BrO3 |
| Molecular Weight | 247.086 |
| Exact Mass | 245.989 |
| XLogP3 | 1.9586 |
| Mr | 53.2538 |
| PSA | 38.69 |
| Sequence | - |
| Atom number | 24 |
| Bond number | 24 |
| Ring number | 1 |
| Rotor number | 3 |
| Residues number | 0 |
| Canonical smiles | COc1cc(CO)c(cc1OC)Br |
