HuagongsheHuagongshe Chemistry Print Report · For research reference only
Methyl 2-(bromomethyl)-3-(trifluoromethyl)benzoate
Methyl 2-bromomethyl-3-trifluoromethyl benzoate · 2-Bromomethyl-3-trifluoromethylbenzoic acid methyl ester · Benzoic acid, 2-(bromomethyl)-3-(trifluoromethyl)-, methyl ester
Identifiers & Physical Properties
| CAS No. | 346603-68-7 |
|---|---|
| Molecular formula | C10H8BrF3O2 |
| Average molar mass | 297.07 g/mol |
| Monoisotopic mass | 295.96597626 g/mol |
| SMILES | COC(=O)c1cccc(C(F)(F)F)c1CBr |
| InChIKey | DFYWLNAELNNBMC-UHFFFAOYSA-N |
| PubChem CID | 17837607 |
| DTXSID | DTXSID50591195 |
Chemical & Physical Properties
| XLogP | 3.2 |
|---|---|
| Topological polar surface area | 26.3 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 5 |
| Rotatable bonds | 3 |
| Heavy atoms | 16 |
| Formal charge | 0 |
| Complexity | 255 |
| Storage conditions | under inert gas (nitrogen or Argon) at 2-8°C |