2-(3-Iodophenyl)-4-[(2-prop-2-enoxyphenyl)methylidene]-1,3-oxazol-5-one
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Basic information
- CAS
362609-12-9- Standard SMILES
C=CCOc1ccccc1C=C1N=C(c2cccc(I)c2)OC1=O- InChIKey
JFBAUZMBAFUIEV-UHFFFAOYSA-N- Molecular formula
- C19H14INO3
- Average molar mass
- 431.2 g/mol
Names & identifiers
- Preferred name
- 2-(3-Iodophenyl)-4-[(2-prop-2-enoxyphenyl)methylidene]-1,3-oxazol-5-one
- IUPAC
- 2-(3-iodophenyl)-4-[(2-prop-2-enoxyphenyl)methylidene]-1,3-oxazol-5-one
- English name
- 4-[2-(allyloxy)benzylidene]-2-(3-iodophenyl)-1,3-oxazol-5(4H)-one
- Molecular formula
- C19H14INO3
- Molecular weight
- 431.22
Names & synonyms
4-[2-(allyloxy)benzylidene]-2-(3-iodophenyl)-1,3-oxazol-5(4H)-one
Database identifiers
- CAS
362609-12-9
Properties
Computed structural propertiesFilling in
- XLogP
- 4.8
- Topological polar surface area
- 47.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 543
Physicochemical properties
- Boiling point
- 514.905 · 514.905±60.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.515 · 1.515±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 0.07 · 0.070±0.20(predicted)
Related reactions
0 records
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Compound notes
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