Basic information
- CAS
353472-68-1- Standard SMILES
CCCOc1ccc(C=C2N=C(c3cc(I)ccc3Cl)OC2=O)cc1OC- InChIKey
BURQLPYVJOJWRF-UHFFFAOYSA-N- Molecular formula
- C20H17ClINO4
- Average molar mass
- 497.7 g/mol
- Monoisotopic mass
- 496.98908
Names & identifiers
- Preferred name
- 2-(2-Chloro-5-iodophenyl)-4-[(3-methoxy-4-propoxyphenyl)methylidene]-1,3-oxazol-5-one
- IUPAC
- 2-(2-chloro-5-iodophenyl)-4-[(3-methoxy-4-propoxyphenyl)methylidene]-1,3-oxazol-5-one
- English name
- 2-(2-chloro-5-iodophenyl)-4-(3-methoxy-4-propoxybenzylidene)-1,3-oxazol-5(4H)-one
- Molecular formula
- C20H17ClINO4
- Molecular weight
- 497.71
Names & synonyms
2-(2-chloro-5-iodophenyl)-4-[(3-methoxy-4-propoxyphenyl)methylidene]-1,3-oxazol-5(4H)-one2-(2-chloro-5-iodophenyl)-4-(3-methoxy-4-propoxybenzylidene)-1,3-oxazol-5(4H)-one5(4H)-Oxazolone, 2-(2-chloro-5-iodophenyl)-4-[(3-methoxy-4-propoxyphenyl)methylene]-
Database identifiers
- CAS
353472-68-1- PubChem CID
- 3743992
Properties
Computed structural properties
- XLogP
- 5.7
- Topological polar surface area
- 57.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 597
Physicochemical properties
- Boiling point
- 560.8 · 560.8±60.0 °C(Predicted)
- Density
- 1.57 · 1.57±0.1 g/cm3(Predicted)
- pka
- -0.78 · -0.78±0.20(Predicted)
Chemistry & industry
Suppliers2 total
Interbioscreen Ltd.[email protected]
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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