Base information
| Cat. No. | |
| CAS No. | 117910-76-6 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C9H13BrO |
| Molecular Weight | 217.103 |
| Exact Mass | 216.015 |
| XLogP3 | 3.0444 |
| Mr | 50.599 |
| PSA | 17.07 |
| Sequence | - |
| Atom number | 24 |
| Bond number | 24 |
| Ring number | 1 |
| Rotor number | 0 |
| Residues number | 0 |
| Canonical smiles | CC1=C(Br)C(=O)CC(C1)(C)C |
