Basic information
- CAS
20677-77-4- Standard SMILES
O=C(OCC(F)([N+](=O)[O-])[N+](=O)[O-])OCC(F)([N+](=O)[O-])[N+](=O)[O-]- InChIKey
BPMXMXFLNKOZJI-UHFFFAOYSA-N- Molecular formula
- C5H4F2N4O11
- Average molar mass
- 334.1 g/mol
- Monoisotopic mass
- 333.98446328
Names & identifiers
- Preferred name
- 2-Fluoro-2,2-dinitroethyl carbonate(2:1)
- IUPAC
- bis(2-fluoro-2,2-dinitroethyl) carbonate
Names & synonyms
20677-77-4bis(2-fluoro-2,2-dinitroethyl) carbonate2-Fluoro-2,2-dinitroethyl carbonate(2:1)NSC312449EINECS 243-961-3NSC 312449bis(2-fluoro-2,2-dinitro-ethyl) carbonateSCHEMBL9561357CHEMBL1990624DTXSID20174732BPMXMXFLNKOZJI-UHFFFAOYSA-NAKOS022142047
Show more names
NSC-312449NCI60_002694NS00050151
Database identifiers
- CAS
20677-77-4- PubChem CID
- 88647
- DTXSID
DTXSID20174732- ChEMBL
CHEMBL1990624- EC Number
- 243-961-3
- Nikkaji
- J280.643F
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 219 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 13
- Rotatable bonds
- 6
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 429
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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