HuagongsheHuagongshe Chemistry Print Report · For research reference only
Ethyl (2-fluoro-4-((2-(methylcarbamoyl)pyridin-4-yl)oxy)phenyl)carbamate
Cabazitaxel Impurity 66 · Regorafenib Impurities67 · Regorafenib Impurities09 · Regorafenib Impurities02 · Azilsartan medoxomil impurity261 · (Z)-1,2-bis(4-chloro-3-(trifluoromethyl)phenyl)diazene
Identifiers & Physical Properties
| CAS No. | 2514957-39-0 |
|---|---|
| Molecular formula | C16H16FN3O4 |
| Average molar mass | 333.31 g/mol |
| Monoisotopic mass | 333.11248416 g/mol |
| SMILES | CCOC(=O)Nc1ccc(Oc2ccnc(C(=O)NC)c2)cc1F |
| InChIKey | TXLQWTKJJNKWFP-UHFFFAOYSA-N |
| PubChem CID | 129011908 |
Chemical & Physical Properties
| XLogP | 2 |
|---|---|
| Topological polar surface area | 89.6 |
| Hydrogen bond donors | 2 |
| Hydrogen bond acceptors | 6 |
| Rotatable bonds | 6 |
| Heavy atoms | 24 |
| Formal charge | 0 |
| Complexity | 438 |
| Boiling point | 454.9±45.0 °C(Predicted) |
| Density | 1.313±0.06 g/cm3(Predicted) |
| pKa (acidity coefficient) | 11.84±0.70(Predicted) |