Basic information
- CAS
306730-25-6- Standard SMILES
O=C(C=Cc1ccc2c(c1)OCO2)c1ccc(OC(=O)c2ccc(F)cc2)cc1- InChIKey
DRZVWIVESIGAQA-UHFFFAOYSA-N- Molecular formula
- C23H15FO5
- Average molar mass
- 390.4 g/mol
- Monoisotopic mass
- 390.09035174
Names & identifiers
- Preferred name
- 4-[3-(2H-1,3-Benzodioxol-5-yl)prop-2-enoyl]phenyl 4-fluorobenzoate
- IUPAC
- [4-[3-(1,3-benzodioxol-5-yl)prop-2-enoyl]phenyl] 4-fluorobenzoate
- English name
- 4-[3-(1,3-BENZODIOXOL-5-YL)ACRYLOYL]PHENYL 4-FLUOROBENZENECARBOXYLATE
- Molecular formula
- C23H15FO5
- Molecular weight
- 390.36
Names & synonyms
DTXSID6011528124-[3-(1,3-Benzodioxol-5-yl)-1-oxo-2-propen-1-yl]phenyl 4-fluorobenzoate4-[3-(2H-1,3-Benzodioxol-5-yl)prop-2-enoyl]phenyl 4-fluorobenzoate4-[3-(1,3-BENZODIOXOL-5-YL)ACRYLOYL]PHENYL 4-FLUOROBENZENECARBOXYLATE4-[(2Z)-3-(2H-1,3-benzodioxol-5-yl)prop-2-enoyl]phenyl 4-fluorobenzoateBenzoic acid, 4-fluoro-, 4-[3-(1,3-benzodioxol-5-yl)-1-oxo-2-propen-1-yl]phenyl ester
Database identifiers
- CAS
306730-25-6- PubChem CID
- 5201056
- DTXSID
DTXSID601152812
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 61.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 604
Physicochemical properties
- Boiling point
- 570.9 · 570.9±50.0 °C(Predicted)
- Density
- 1.352 · 1.352±0.06 g/cm3(Predicted)
Chemistry & industry
Suppliers3 total
Ryan Scientific, Inc.[email protected]
Key Organics Ltd.[email protected]
BIONET-INTER[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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