Base information
| Cat. No. | |
| CAS No. | 5122-99-6 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C6H6BIO2 |
| Molecular Weight | 247.826 |
| Exact Mass | 247.951 |
| XLogP3 | -0.029 |
| Mr | 48.9846 |
| PSA | 40.46 |
| Sequence | - |
| Atom number | 16 |
| Bond number | 16 |
| Ring number | 1 |
| Rotor number | 1 |
| Residues number | 0 |
| Canonical smiles | OB(c1ccc(cc1)I)O |
