Basic information
- CAS
296275-24-6- Standard SMILES
O=C1OC(c2cc(F)c(F)cc2Cl)=NC1=CC=Cc1ccccc1- InChIKey
SVQPKTAZHXHKAG-UHFFFAOYSA-N- Molecular formula
- C18H10ClF2NO2
- Average molar mass
- 345.7 g/mol
- Monoisotopic mass
- 345.0368126
Names & identifiers
- Preferred name
- 2-(2-Chloro-4,5-difluorophenyl)-4-cinnamylidene-1,3-oxazol-5-one
- IUPAC
- 2-(2-chloro-4,5-difluorophenyl)-4-cinnamylidene-1,3-oxazol-5-one
- English name
- 2-(2-chloro-4,5-difluorophenyl)-4-(3-phenyl-2-propenylidene)-1,3-oxazol-5(4H)-one
- Molecular formula
- C18H10ClF2NO2
- Molecular weight
- 345.73
Names & synonyms
2-(2-chloro-4,5-difluorophenyl)-4-(3-phenylprop-2-en-1-ylidene)-1,3-oxazol-5(4H)-one2-(2-chloro-4,5-difluorophenyl)-4-(3-phenyl-2-propenylidene)-1,3-oxazol-5(4H)-one
Database identifiers
- CAS
296275-24-6- PubChem CID
- 740067
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 38.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 569
Physicochemical properties
- Boiling point
- 451.594 · 451.594±55.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.328 · 1.328±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- -2.725 · -2.725±0.20(predicted)
Chemistry & industry
Suppliers1 total
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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