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Basic information
- CAS
680-42-2- Standard SMILES
CCOC(=O)C(F)(C(=O)OCC)[N+](=O)[O-]- InChIKey
YTEKREICWGQLEN-UHFFFAOYSA-N- Molecular formula
- C7H10FNO6
- Average molar mass
- 223.16 g/mol
- Monoisotopic mass
- 223.04921526
Names & identifiers
- Preferred name
- Diethyl fluoro(nitro)propanedioate
- IUPAC
- diethyl 2-fluoro-2-nitropropanedioate
Names & synonyms
680-42-2diethyl fluoro(nitro)propanedioateNSC140875diethylfluoronitromalonatediethyl fluoronitromalonateSCHEMBL7620521DTXSID60301065YTEKREICWGQLEN-UHFFFAOYSA-NDiethyl 2-fluoro-2-nitro-propanedioateNSC-140875DS-000830
Database identifiers
- CAS
680-42-2- PubChem CID
- 284709
- DTXSID
DTXSID60301065- Nikkaji
- J416.742B
Properties
Computed structural propertiesFilling in
- XLogP
- 1.2
- Topological polar surface area
- 98.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 255
Related reactions
3 records
Compound notes
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