Base information
| Cat. No. | |
| CAS No. | 155405-79-1 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C12H13BrO3 |
| Molecular Weight | 285.134 |
| Exact Mass | 284.005 |
| XLogP3 | 2.3682 |
| Mr | 65.1785 |
| PSA | 43.37 |
| Sequence | - |
| Atom number | 29 |
| Bond number | 29 |
| Ring number | 1 |
| Rotor number | 6 |
| Residues number | 0 |
| Canonical smiles | COC(=O)c1ccc(cc1)CCC(C=O)Br |
