[4-[[2-(2-Chlorophenyl)-5-oxo-1,3-oxazol-4-ylidene]methyl]phenyl] 4-bromobenzoate
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Basic information
- CAS
352558-83-9- Standard SMILES
O=C1OC(c2ccccc2Cl)=NC1=Cc1ccc(OC(=O)c2ccc(Br)cc2)cc1- InChIKey
WFJIRPKLZJKNJA-UHFFFAOYSA-N- Molecular formula
- C23H13BrClNO4
- Average molar mass
- 482.7 g/mol
- Monoisotopic mass
- 480.97165
Names & identifiers
- Preferred name
- [4-[[2-(2-Chlorophenyl)-5-oxo-1,3-oxazol-4-ylidene]methyl]phenyl] 4-bromobenzoate
- IUPAC
- [4-[[2-(2-chlorophenyl)-5-oxo-1,3-oxazol-4-ylidene]methyl]phenyl] 4-bromobenzoate
- English name
- 4-[(2-(2-chlorophenyl)-5-oxo-1,3-oxazol-4(5H)-ylidene)methyl]phenyl 4-bromobenzoate
- Molecular formula
- C23H13BrClNO4
- Molecular weight
- 482.71
Names & synonyms
4-[(2-(2-chlorophenyl)-5-oxo-1,3-oxazol-4(5H)-ylidene)methyl]phenyl 4-bromobenzoate4-{(Z)-[2-(2-chlorophenyl)-5-oxo-1,3-oxazol-4(5H)-ylidene]methyl}phenyl 4-bromobenzoateBenzoic acid, 4-bromo-, 4-[[2-(2-chlorophenyl)-5-oxo-4(5H)-oxazolylidene]methyl]phenyl ester
Database identifiers
- CAS
352558-83-9- PubChem CID
- 3753947
Properties
Computed structural propertiesFilling in
- XLogP
- 6.3
- Topological polar surface area
- 65 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 708
Physicochemical properties
- Boiling point
- 606.4 · 606.4±65.0 °C(Predicted)
- Density
- 1.49 · 1.49±0.1 g/cm3(Predicted)
- pka
- -0.39 · -0.39±0.20(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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