Base information
| Cat. No. | |
| CAS No. | 1202006-92-5 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C13H12BrNO |
| Molecular Weight | 278.144 |
| Exact Mass | 277.01 |
| XLogP3 | 3.35358 |
| Mr | 65.668 |
| PSA | 40.86 |
| Sequence | - |
| Atom number | 28 |
| Bond number | 29 |
| Ring number | 2 |
| Rotor number | 1 |
| Residues number | 0 |
| Canonical smiles | N#CC1(CCC(=O)CC1)c1cccc(c1)Br |
