3-(Ethoxycarbonyl)-1-(2-fluoroethyl)pyridin-1-ium bromide
Basic information
- CAS
403-13-4- Standard SMILES
CCOC(=O)c1ccc[n+](CCF)c1.[Br-]- InChIKey
ZVNLBWUXFPUAKZ-UHFFFAOYSA-M- Molecular formula
- C10H13BrFNO2
- Average molar mass
- 278.12 g/mol
- Monoisotopic mass
- 277.01137
Names & identifiers
- Preferred name
- 3-(Ethoxycarbonyl)-1-(2-fluoroethyl)pyridin-1-ium bromide
- IUPAC
- ethyl 1-(2-fluoroethyl)pyridin-1-ium-3-carboxylate bromide
Names & synonyms
403-13-4DTXSID009607363-(ETHOXYCARBONYL)-1-(2-FLUOROETHYL)PYRIDIN-1-IUM BROMIDERefChem:1067139DTXCID3013885813-Carbethoxy-N-2-fluoroethylpyridinium bromidePyridinium, 3-ethoxycarbonyl-1-(2-fluoroethyl)-, bromide
Database identifiers
- CAS
403-13-4- PubChem CID
- 67876
- DTXSID
DTXSID00960736
Properties
Computed structural properties
- Topological polar surface area
- 30.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 187
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Compound notes
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