Sodium 4,4,4-trifluoro-3-oxo-1-(pyridin-2-yl)but-1-en-1-olate
Basic information
- CAS
1384433-79-7- Standard SMILES
O=C(/C=C(\[O-])c1ccccn1)C(F)(F)F.[Na+]- InChIKey
GGCNBHLBBWIYJB-YJOCEBFMSA-M- Molecular formula
- C9H5F3NNaO2
- Average molar mass
- 239.13 g/mol
- Monoisotopic mass
- 239.01700717
Names & identifiers
- Preferred name
- Sodium 4,4,4-trifluoro-3-oxo-1-(pyridin-2-yl)but-1-en-1-olate
- IUPAC
- sodium (Z)-4,4,4-trifluoro-3-oxo-1-pyridin-2-ylbut-1-en-1-olate
Names & synonyms
DTXSID801378111sodium 4,4,4-trifluoro-3-oxo-1-(pyridin-2-yl)but-1-en-1-olate3-Buten-2-one, 1,1,1-trifluoro-4-hydroxy-4-(2-pyridinyl)-, sodium salt (1:1)1384433-79-7
Database identifiers
- CAS
1384433-79-7- PubChem CID
- 23707486
- DTXSID
DTXSID801378111
Properties
Computed structural properties
- Topological polar surface area
- 53 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 278
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Compound notes
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