HuagongsheHuagongshe Chemistry Print Report · For research reference only
4-Bromo-2-methoxy-3-(trifluoromethyl)aniline
Identifiers & Physical Properties
| CAS No. | 627531-41-3 |
|---|---|
| Molecular formula | C8H7BrF3NO |
| Average molar mass | 270.05 g/mol |
| Monoisotopic mass | 268.9663106 g/mol |
| SMILES | COc1c(N)ccc(Br)c1C(F)(F)F |
| InChIKey | JXQNQTASCDHMIL-UHFFFAOYSA-N |
| PubChem CID | 59754336 |
| DTXSID | DTXSID901239245 |
Chemical & Physical Properties
| XLogP | 2.8 |
|---|---|
| Topological polar surface area | 35.3 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 5 |
| Rotatable bonds | 1 |
| Heavy atoms | 14 |
| Formal charge | 0 |
| Complexity | 200 |