Basic information
- CAS
676159-84-5- Standard SMILES
COc1ccc(C2=C(Cl)C=C(c3ccc(F)cc3)c3ccccc3O2)cc1OC- InChIKey
WBLYUMVVRCPEIY-UHFFFAOYSA-N- Molecular formula
- C24H18ClFO3
- Average molar mass
- 408.8 g/mol
Names & identifiers
- Preferred name
- 3-Chloro-2-(3,4-dimethoxyphenyl)-5-(4-fluorophenyl)-1-benzoxepine
- IUPAC
- 3-chloro-2-(3,4-dimethoxyphenyl)-5-(4-fluorophenyl)-1-benzoxepine
- English name
- 3-Chloro-2-(3,4-dimethoxyphenyl)-5-(4-fluorophenyl)-1-benzoxepine
- Molecular formula
- C24H18ClFO3
- Molecular weight
- 408.85
Names & synonyms
3-chloro-2-(3,4-dimethoxyphenyl)-5-(4-fluorophenyl)-1-benzoxepineSTK874133AKOS0014906643-chloro-2-(3,4-dimethoxyphenyl)-5-(4-fluorophenyl)benzo[b]oxepineTOSLAB 8081091-Benzoxepin, 3-chloro-2-(3,4-dimethoxyphenyl)-5-(4-fluorophenyl)-
Database identifiers
- CAS
676159-84-5
Properties
Computed structural properties
- XLogP
- 6
- Topological polar surface area
- 27.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 626
Physicochemical properties
- Boiling point
- 535.6 · 535.6±50.0 °C(Predicted)
- Density
- 1.32 · 1.32±0.1 g/cm3(Predicted)
Chemistry & industry
Suppliers3 total
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…