Basic information
- CAS
17003-76-8- Standard SMILES
CCOC(=O)C(F)([N+](=O)[O-])[N+](=O)[O-]- InChIKey
XGPDPZQUMHLJIX-UHFFFAOYSA-N- Molecular formula
- C4H5FN2O6
- Average molar mass
- 196.09 g/mol
- Monoisotopic mass
- 196.01316405
Names & identifiers
- Preferred name
- Ethyl 2-fluoro-2,2-dinitroacetate
- IUPAC
- ethyl 2-fluoro-2,2-dinitroacetate
- English name
- Acetic acid 2-fluoro-2,2-dinitroethyl ester
- Molecular formula
- C4H5FN2O6
- Molecular weight
- 196.09
Names & synonyms
Acetic acid 2-fluoro-2,2-dinitroethyl ester
Database identifiers
- CAS
17003-76-8- PubChem CID
- 139891255
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 118 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 228
Physicochemical properties
- Boiling point
- 47 · 47-48 °C(Press: 5 Torr)
- Density
- 1.3769 g/cm3 · 1.3769 g/cm3
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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