Base information
| Cat. No. | |
| CAS No. | 121365-23-9 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C12H11BrO3 |
| Molecular Weight | 283.118 |
| Exact Mass | 281.989 |
| XLogP3 | 2.8962 |
| Mr | 65.4328 |
| PSA | 54.37 |
| Sequence | - |
| Atom number | 27 |
| Bond number | 27 |
| Ring number | 1 |
| Rotor number | 5 |
| Residues number | 0 |
| Canonical smiles | OC(=O)CCC(=O)/C=C/c1ccc(cc1)Br |
