Base information
| Cat. No. | |
| CAS No. | 550998-59-9 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C9H5BrO3 |
| Molecular Weight | 241.038 |
| Exact Mass | 239.942 |
| XLogP3 | 2.8935 |
| Mr | 50.8733 |
| PSA | 50.44 |
| Sequence | - |
| Atom number | 18 |
| Bond number | 19 |
| Ring number | 2 |
| Rotor number | 1 |
| Residues number | 0 |
| Canonical smiles | OC(=O)c1cc2c(o1)c(Br)ccc2 |
