Basic information
- CAS
16544-21-1- Standard SMILES
C=CC(=O)OCC(F)([N+](=O)[O-])[N+](=O)[O-]- InChIKey
SVLVXRRQKCWWRO-UHFFFAOYSA-N- Molecular formula
- C5H5FN2O6
- Average molar mass
- 208.1 g/mol
- Monoisotopic mass
- 208.01316405
Names & identifiers
- Preferred name
- 2-Fluoro-2,2-dinitroethyl acrylate
- IUPAC
- (2-fluoro-2,2-dinitroethyl) prop-2-enoate
- English name
- 2-fluoro-2,2-dinitroethyl acrylate
- Molecular formula
- C5H5FN2O6
- Molecular weight
- 208.1
Names & synonyms
2-Fluoro-2,2-dinitroethyl acrylate16544-21-1(2-fluoro-2,2-dinitroethyl) prop-2-enoateEINECS 240-609-02-FLUORO-2,2-DINITROETHYL PROP-2-ENOATESCHEMBL28438522DTXSID00167945SVLVXRRQKCWWRO-UHFFFAOYSA-NNS000254142-Propenoic acid 2-fluoro-2,2-dinitroethyl esterPropenoic acid 2-fluoro-2,2-dinitroethyl ester2-Propenoic acid, 2-fluoro-2,2-dinitroethyl ester
Database identifiers
- CAS
16544-21-1- PubChem CID
- 85486
- DTXSID
DTXSID00167945- EC Number
- 240-609-0
- Nikkaji
- J318.240A
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 118 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 265
Physicochemical properties
- Boiling point
- 38 · 38-40 °C(Press: 0.3 Torr)
- Density
- 1.479 · 1.479±0.06 g/cm3(Predicted)
Chemistry & industry
Suppliers1 total
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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