Base information
| Cat. No. | |
| CAS No. | 81316-36-1 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C9H7BrO3 |
| Molecular Weight | 243.054 |
| Exact Mass | 241.958 |
| XLogP3 | 1.8048 |
| Mr | 50.4285 |
| PSA | 43.37 |
| Sequence | - |
| Atom number | 20 |
| Bond number | 20 |
| Ring number | 1 |
| Rotor number | 3 |
| Residues number | 0 |
| Canonical smiles | COC(=O)C(=O)c1cccc(c1)Br |
