Methyl 2-fluoro-3-oxobutanoate
Basic information
- CAS
80171-29-5- Standard SMILES
COC(=O)C(F)C(C)=O- InChIKey
FXZAMEPLYGXHJI-UHFFFAOYSA-N- Molecular formula
- C5H7FO3
- Average molar mass
- 134.11 g/mol
Names & identifiers
- Preferred name
- Methyl 2-fluoro-3-oxobutanoate
- IUPAC
- methyl 2-fluoro-3-oxobutanoate
- English name
- Butanoic acid, 2-fluoro-3-oxo-, methyl ester (9CI)
- Molecular formula
- C5H7FO3
- Molecular weight
- 134.11
Names & synonyms
methyl 2-fluoro-3-oxobutanoate80171-29-52-FLUORO-3-OXO-BUTANOIC ACID METHYL ESTERSCHEMBL3532382-FLUORO-3-OXO-BUTANOICACIDMETHYLESTEREN300-1457732Butanoic acid, 2-fluoro-3-oxo-, Methyl esterButanoic acid, 2-fluoro-3-oxo-, methyl ester (9CI)
Database identifiers
- CAS
80171-29-5- Nikkaji
- J2.724.400I
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 132
Physicochemical properties
- Boiling point
- 147.4 · 147.4±20.0 °C(Predicted)
- Density
- 1.141 · 1.141±0.06 g/cm3(Predicted)
- pka
- 9.23 · 9.23±0.46(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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