2-(3-Bromophenyl)-4-[[2-[(2-bromophenyl)methoxy]phenyl]methylidene]-1,3-oxazol-5-one
Basic information
- CAS
445250-80-6- Standard SMILES
O=C1OC(c2cccc(Br)c2)=NC1=Cc1ccccc1OCc1ccccc1Br- InChIKey
VYCDBODEOIMHLL-UHFFFAOYSA-N- Molecular formula
- C23H15Br2NO3
- Average molar mass
- 513.2 g/mol
Names & identifiers
- Preferred name
- 2-(3-Bromophenyl)-4-[[2-[(2-bromophenyl)methoxy]phenyl]methylidene]-1,3-oxazol-5-one
- IUPAC
- 2-(3-bromophenyl)-4-[[2-[(2-bromophenyl)methoxy]phenyl]methylidene]-1,3-oxazol-5-one
- English name
- 4-{2-[(2-bromobenzyl)oxy]benzylidene}-2-(3-bromophenyl)-1,3-oxazol-5(4H)-one
- Molecular formula
- C23H15Br2NO3
- Molecular weight
- 513.18
Names & synonyms
4-{2-[(2-bromobenzyl)oxy]benzylidene}-2-(3-bromophenyl)-1,3-oxazol-5(4H)-one
Database identifiers
- CAS
445250-80-6
Properties
Computed structural properties
- XLogP
- 6.4
- Topological polar surface area
- 47.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 650
Physicochemical properties
- Boiling point
- 594.585 · 594.585±60.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.561 · 1.561±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- -0.073 · -0.073±0.20(predicted)
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