HuagongsheHuagongshe Chemistry Print Report · For research reference only
Methyl 2-amino-3-methyl-5-(trifluoromethyl)benzoate
Identifiers & Physical Properties
| CAS No. | 1801782-88-6 |
|---|---|
| Molecular formula | C10H10F3NO2 |
| Average molar mass | 233.19 g/mol |
| Monoisotopic mass | 233.06636322 g/mol |
| SMILES | COC(=O)c1cc(C(F)(F)F)cc(C)c1N |
| InChIKey | YPCBQEXTYWHJKZ-UHFFFAOYSA-N |
| PubChem CID | 118251663 |
| DTXSID | DTXSID601168647 |
Chemical & Physical Properties
| XLogP | 2.9 |
|---|---|
| Topological polar surface area | 52.3 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 6 |
| Rotatable bonds | 2 |
| Heavy atoms | 16 |
| Formal charge | 0 |
| Complexity | 267 |