Base information
| Cat. No. | |
| CAS No. | 1175512-08-9 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C7H6BrNO3 |
| Molecular Weight | 232.031 |
| Exact Mass | 230.953 |
| XLogP3 | 0.924 |
| Mr | 46.0422 |
| PSA | 59.16 |
| Sequence | - |
| Atom number | 18 |
| Bond number | 18 |
| Ring number | 1 |
| Rotor number | 2 |
| Residues number | 0 |
| Canonical smiles | COC(=O)c1c[nH]cc(c1=O)Br |
