Base information
| Cat. No. | |
| CAS No. | 54916-66-4 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C7H6BrNO3 |
| Molecular Weight | 232.031 |
| Exact Mass | 230.953 |
| XLogP3 | 1.5509 |
| Mr | 45.3883 |
| PSA | 59.42 |
| Sequence | - |
| Atom number | 18 |
| Bond number | 18 |
| Ring number | 1 |
| Rotor number | 2 |
| Residues number | 0 |
| Canonical smiles | COc1ncc(cc1C(=O)O)Br |
