Basic information
- CAS
352702-80-8- Standard SMILES
O=C1OC(c2ccccc2F)=NC1=Cc1cccc(OCc2ccc(Br)cc2)c1- InChIKey
ZLBLIRWNOCHRHC-UHFFFAOYSA-N- Molecular formula
- C23H15BrFNO3
- Average molar mass
- 452.3 g/mol
Names & identifiers
- Preferred name
- 4-[[3-[(4-Bromophenyl)methoxy]phenyl]methylidene]-2-(2-fluorophenyl)-1,3-oxazol-5-one
- IUPAC
- 4-[[3-[(4-bromophenyl)methoxy]phenyl]methylidene]-2-(2-fluorophenyl)-1,3-oxazol-5-one
- English name
- 4-{3-[(4-bromobenzyl)oxy]benzylidene}-2-(2-fluorophenyl)-1,3-oxazol-5(4H)-one
- Molecular formula
- C23H15BrFNO3
- Molecular weight
- 452.27
Names & synonyms
4-{3-[(4-bromobenzyl)oxy]benzylidene}-2-(2-fluorophenyl)-1,3-oxazol-5(4H)-one
Database identifiers
- CAS
352702-80-8
Properties
Computed structural properties
- XLogP
- 5.8
- Topological polar surface area
- 47.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 644
Physicochemical properties
- Boiling point
- 563.683 · 563.683±60.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.418 · 1.418±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- -0.432 · -0.432±0.20(predicted)
Chemistry & industry
Suppliers1 total
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…