Base information
| Cat. No. | |
| CAS No. | 1083181-36-5 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C10H8BrNO2 |
| Molecular Weight | 254.08 |
| Exact Mass | 252.974 |
| XLogP3 | 2.30178 |
| Mr | 54.9435 |
| PSA | 50.09 |
| Sequence | - |
| Atom number | 22 |
| Bond number | 22 |
| Ring number | 1 |
| Rotor number | 3 |
| Residues number | 0 |
| Canonical smiles | N#CCc1cc(Br)ccc1C(=O)OC |
