Basic information
- Standard SMILES
CCOC(=O)CC(=O)c1ccc([N+](=O)[O-])c(F)c1- InChIKey
NLEKCLDVDAXWCD-UHFFFAOYSA-N- Molecular formula
- C11H10FNO5
- Average molar mass
- 255.2 g/mol
Names & identifiers
- Preferred name
- Ethyl 3-(3-fluoro-4-nitrophenyl)-3-oxopropanoate
- IUPAC
- ethyl 3-(3-fluoro-4-nitrophenyl)-3-oxopropanoate
Names & synonyms
ethyl 3-(3-fluoro-4-nitrophenyl)-3-oxopropanoate939807-28-0SCHEMBL275672NLEKCLDVDAXWCD-UHFFFAOYSA-Nethyl 3-fluoro-4-nitro benzoylacetateDA-34213A1-16243
Database identifiers
- PubChem CID
- 57955348
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 89.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 341
Related reactions
5 records
Compound notes
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