Diethyl 3-bromo-5-(5-(trifluoromethyl)pyridin-2-yloxy)benzylphosphonate
Basic information
- Standard SMILES
CCOP(=O)(Cc1cc(Br)cc(Oc2ccc(C(F)(F)F)cn2)c1)OCC- InChIKey
QTBKWBCAZPDTPH-UHFFFAOYSA-N- Molecular formula
- C17H18BrF3NO4P
- Average molar mass
- 468.2 g/mol
- Monoisotopic mass
- 467.01089
Names & identifiers
- Preferred name
- Diethyl 3-bromo-5-(5-(trifluoromethyl)pyridin-2-yloxy)benzylphosphonate
- IUPAC
- 2-[3-bromo-5-(diethoxyphosphorylmethyl)phenoxy]-5-(trifluoromethyl)pyridine
Names & synonyms
Diethyl 3-bromo-5-(5-(trifluoromethyl)pyridin-2-yloxy)benzylphosphonateSCHEMBL1012278
Database identifiers
- PubChem CID
- 86623908
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 57.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 8
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 501
Related reactions
6 records
Compound notes
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