Base information
| Cat. No. | |
| CAS No. | 612845-46-2 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C7H9BBrNO3 |
| Molecular Weight | 245.866 |
| Exact Mass | 244.986 |
| XLogP3 | -0.0774 |
| Mr | 53.0616 |
| PSA | 62.58 |
| Sequence | - |
| Atom number | 22 |
| Bond number | 22 |
| Ring number | 1 |
| Rotor number | 3 |
| Residues number | 0 |
| Canonical smiles | CCOc1ncc(c(c1)B(O)O)Br |
