Basic information
- CAS
33046-32-1- Standard SMILES
O=C=NCC(F)([N+](=O)[O-])[N+](=O)[O-]- InChIKey
JWUDOTDYICRKEH-UHFFFAOYSA-N- Molecular formula
- C3H2FN3O5
- Average molar mass
- 179.06 g/mol
- Monoisotopic mass
- 178.99784833
Names & identifiers
- Preferred name
- 1-Fluoro-2-isocyanato-1,1-dinitroethane
- IUPAC
- 1-fluoro-2-isocyanato-1,1-dinitroethane
Names & synonyms
1-Fluoro-2-isocyanato-1,1-dinitroethane33046-32-1SCHEMBL10481072DTXSID00601834
Database identifiers
- CAS
33046-32-1- PubChem CID
- 20032222
- DTXSID
DTXSID00601834
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 121 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 234
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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