Base information
| Cat. No. | |
| CAS No. | 28656-91-9 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C9H9Br2NO3 |
| Molecular Weight | 338.981 |
| Exact Mass | 336.895 |
| XLogP3 | 1.53738 |
| Mr | 61.2506 |
| PSA | 73.48 |
| Sequence | - |
| Atom number | 24 |
| Bond number | 24 |
| Ring number | 1 |
| Rotor number | 2 |
| Residues number | 0 |
| Canonical smiles | N#CC[C@]1(O)C=C(Br)C(=C([C@@H]1O)Br)OC |
