Basic information
- CAS
2514957-39-0- Standard SMILES
CCOC(=O)Nc1ccc(Oc2ccnc(C(=O)NC)c2)cc1F- InChIKey
TXLQWTKJJNKWFP-UHFFFAOYSA-N- Molecular formula
- C16H16FN3O4
- Average molar mass
- 333.31 g/mol
- Monoisotopic mass
- 333.11248416
Names & identifiers
- Preferred name
- Ethyl (2-fluoro-4-((2-(methylcarbamoyl)pyridin-4-yl)oxy)phenyl)carbamate
- IUPAC
- ethyl N-[2-fluoro-4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]carbamate
- English name
- Azilsartan medoxomil impurity261
- Molecular formula
- C16H16FN3O4
- Molecular weight
- 333.31
Names & synonyms
ethyl (2-fluoro-4-((2-(methylcarbamoyl)pyridin-4-yl)oxy)phenyl)carbamate2514957-39-0Ethyl [2-fluoro-4-[[2-(methylcarbamoyl)pyridin-4-yl]oxy]phenyl]carbamateRegorafenib Impurity I9FG99K4TUXEthyl N-(2-fluoro-4-{[2-(methylcarbamoyl)pyridin-4-yl]oxy}phenyl)carbamateCabazitaxel Impurity 66Regorafenib Impurities67Regorafenib Impurities09Regorafenib Impurities02Azilsartan medoxomil impurity261(Z)-1,2-bis(4-chloro-3-(trifluoromethyl)phenyl)diazene
Database identifiers
- CAS
2514957-39-0- PubChem CID
- 129011908
- UNII
- 9FG99K4TUX
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 89.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 438
Physicochemical properties
- Boiling point
- 454.9 · 454.9±45.0 °C(Predicted)
- Density
- 1.313 · 1.313±0.06 g/cm3(Predicted)
- pka
- 11.84 · 11.84±0.70(Predicted)
Chemistry & industry
Suppliers18 total
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四川鸿日医药科技有限公司1898-2685405 18380436509 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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