Basic information
- CAS
299963-59-0- Standard SMILES
CCOc1ccc(N2C(=O)c3ccc(F)cc3C2=O)cc1- InChIKey
QJJZAIFOACCVEO-UHFFFAOYSA-N- Molecular formula
- C16H12FNO3
- Average molar mass
- 285.27 g/mol
- Monoisotopic mass
- 285.08012141
Names & identifiers
- Preferred name
- 2-(4-Ethoxyphenyl)-5-fluoro-1H-isoindole-1,3(2H)-dione
- IUPAC
- 2-(4-ethoxyphenyl)-5-fluoroisoindole-1,3-dione
Names & synonyms
2-(4-Ethoxyphenyl)-5-fluoro-1H-isoindole-1,3(2H)-dione299963-59-02-(4-ethoxyphenyl)-5-fluoroisoindole-1,3-dioneOprea1_238498Oprea1_411026SCHEMBL17326261DTXSID901210239AKOS001764799
Database identifiers
- CAS
299963-59-0- PubChem CID
- 768076
- DTXSID
DTXSID901210239
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 46.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 420
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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