Basic information
- Standard SMILES
CCOC(=O)c1cc([N+](=O)[O-])c(F)cc1OCC- InChIKey
COCQUMPOGYMNLS-UHFFFAOYSA-N- Molecular formula
- C11H12FNO5
- Average molar mass
- 257.21 g/mol
- Monoisotopic mass
- 257.06995065
Names & identifiers
- Preferred name
- Ethyl 2-ethoxy-4-fluoro-5-nitrobenzoate
- IUPAC
- ethyl 2-ethoxy-4-fluoro-5-nitrobenzoate
Names & synonyms
ethyl 2-ethoxy-4-fluoro-5-nitrobenzoate1033716-12-9SCHEMBL3590638COCQUMPOGYMNLS-UHFFFAOYSA-NA1-21692
Database identifiers
- PubChem CID
- 59198570
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 81.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 306
Related reactions
4 records
Compound notes
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