Base information
| Cat. No. | |
| CAS No. | 115666-29-0 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C9H5Br2NO |
| Molecular Weight | 302.95 |
| Exact Mass | 300.874 |
| XLogP3 | 3.5054 |
| Mr | 59.0862 |
| PSA | 32.86 |
| Sequence | - |
| Atom number | 18 |
| Bond number | 19 |
| Ring number | 2 |
| Rotor number | 1 |
| Residues number | 0 |
| Canonical smiles | O=Cc1c[nH]c2c1c(Br)cc(c2)Br |
