Base information
| Cat. No. | |
| CAS No. | 364383-14-2 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C16H9BrINO2 |
| Molecular Weight | 454.057 |
| Exact Mass | 452.886 |
| XLogP3 | 4.9671 |
| Mr | 94.5553 |
| PSA | 50.19 |
| Sequence | - |
| Atom number | 30 |
| Bond number | 32 |
| Ring number | 3 |
| Rotor number | 2 |
| Residues number | 0 |
| Canonical smiles | Ic1ccc(cc1)c1nc2ccc(cc2c(c1)C(=O)O)Br |
