Basic information
- CAS
372-37-2- Standard SMILES
CCOC(=O)CC(=O)CF- InChIKey
KQBYNGJTZNCQCO-UHFFFAOYSA-N- Molecular formula
- C6H9FO3
- Average molar mass
- 148.13 g/mol
- Monoisotopic mass
- 148.05357231
Names & identifiers
- Preferred name
- Ethyl 4-fluoro-3-oxobutanoate
- IUPAC
- ethyl 4-fluoro-3-oxobutanoate
- English name
- ethylg-fluoroacetoacetate
- Molecular formula
- C6H9FO3
- Molecular weight
- 148.13
Names & synonyms
ethyl 4-fluoro-3-oxobutanoate372-37-2Ethyl 4-fluoroacetoacetateACETOACETIC ACID, 4-FLUORO-, ETHYL ESTEREthyl omega-fluoroacetoacetateButanoic acid, 4-fluoro-3-oxo-, ethyl esterY36C4L3UZ4NSC-523377DTXSID30190685RefChem:1084939DTXCID70113176ETHYLG-FLUOROACETOACETATE
Show more names
ethyl 4-fluoro-3-oxo-butanoate4-Fluoroacetoacetic acid ethyl ester4-fluoro-3-keto-butyric acid ethyl ester
NSC 523377BRN 1761273Butanoic acid,4-fluoro-3-oxo-, ethyl esterMFCD01672894ethyl fluoroacetoacetateUNII-Y36C4L3UZ4WLN: F1V1VO2Ethyl 4-(fluoroaceto)acetate
Database identifiers
- CAS
372-37-2- PubChem CID
- 9744
- DTXSID
DTXSID30190685- UNII
- Y36C4L3UZ4
- Nikkaji
- J55.352B
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 133
Physicochemical properties
- Boiling point
- 78 · 78-80 °C(Press: 12 Torr)
- Density
- 1.108 · 1.108±0.06 g/cm3(Predicted)
- pka
- 9.52 · 9.52±0.46(Predicted)
- FDA UNII
- 36 C4L3UZ4 · Y36C4L3UZ4
Chemistry & industry
Suppliers3 total
天津凯利奇生物科技有限公司15076683720 · [email protected]
济南尚博生物科技有限公司+8615866703830 · [email protected]
BOC Sciences+1-631-485-4226 · [email protected]
Related reactions
6 records
Compound notes
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