2-(2,4-Dichlorophenyl)-4-[(4-ethoxyphenyl)methylidene]-1,3-oxazol-5-one
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Basic information
- CAS
313645-91-9- Standard SMILES
CCOc1ccc(C=C2N=C(c3ccc(Cl)cc3Cl)OC2=O)cc1- InChIKey
CIZULCSYQPCRIV-UHFFFAOYSA-N- Molecular formula
- C18H13Cl2NO3
- Average molar mass
- 362.2 g/mol
- Monoisotopic mass
- 361.0272487
Names & identifiers
- Preferred name
- 2-(2,4-Dichlorophenyl)-4-[(4-ethoxyphenyl)methylidene]-1,3-oxazol-5-one
- IUPAC
- 2-(2,4-dichlorophenyl)-4-[(4-ethoxyphenyl)methylidene]-1,3-oxazol-5-one
- English name
- 2-(2,4-dichlorophenyl)-4-(4-ethoxybenzylidene)-1,3-oxazol-5(4H)-one
- Molecular formula
- C18H13Cl2NO3
- Molecular weight
- 362.21
Names & synonyms
2-(2,4-dichlorophenyl)-4-[(4-ethoxyphenyl)methylidene]-1,3-oxazol-5(4H)-one2-(2,4-dichlorophenyl)-4-(4-ethoxybenzylidene)-1,3-oxazol-5(4H)-one
Database identifiers
- CAS
313645-91-9- PubChem CID
- 3109551
Properties
Computed structural propertiesFilling in
- XLogP
- 5.2
- Topological polar surface area
- 47.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 526
Physicochemical properties
- Boiling point
- 492.797 · 492.797±55.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.344 · 1.344±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- -0.864 · -0.864±0.20(predicted)
Related reactions
0 records
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Compound notes
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