(4Z)-4-[(3-chloro-4,5-dimethoxyphenyl)methylidene]-2-phenyl-1,3-oxazol-5-one
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Basic information
- CAS
7000-46-6- Standard SMILES
COc1cc(/C=C2\N=C(c3ccccc3)OC2=O)cc(Cl)c1OC- InChIKey
SXNOJSLGABQSFI-UHFFFAOYSA-N- Molecular formula
- C18H14ClNO4
- Average molar mass
- 343.8 g/mol
- Monoisotopic mass
- 343.0611356
Names & identifiers
- Preferred name
- (4Z)-4-[(3-chloro-4,5-dimethoxyphenyl)methylidene]-2-phenyl-1,3-oxazol-5-one
- IUPAC
- (4Z)-4-[(3-chloro-4,5-dimethoxyphenyl)methylidene]-2-phenyl-1,3-oxazol-5-one
- English name
- 4-(3-chloro-4,5-dimethoxybenzylidene)-2-phenyl-1,3-oxazol-5(4H)-one
- Molecular formula
- C18H14ClNO4
- Molecular weight
- 343.76
Names & synonyms
7000-46-64-(3-chloro-4,5-dimethoxybenzylidene)-2-phenyl-1,3-oxazol-5(4H)-one(4Z)-4-[(3-chloro-4,5-dimethoxyphenyl)methylidene]-2-phenyl-1,3-oxazol-5-oneNSC105340AKOS001411080NSC-105340AK-968/12713181
Database identifiers
- CAS
7000-46-6- PubChem CID
- 890731
Properties
Computed structural propertiesFilling in
- XLogP
- 4.1
- Topological polar surface area
- 57.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 527
Physicochemical properties
- Melting point
- 160 °C · 160 °C
- Boiling point
- 486.4 · 486.400±55.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.293 · 1.293±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- -0.675 · -0.675±0.20(predicted)
Related reactions
0 records
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Compound notes
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