2-(2-Fluoro-9H-xanthen-9-YL)-1-phenyl-1,3-butanedione
Basic information
- CAS
428836-26-4- Standard SMILES
CC(=O)C(C(=O)c1ccccc1)C1c2ccccc2Oc2ccc(F)cc21- InChIKey
CCDDWUZRKQKEPO-UHFFFAOYSA-N- Molecular formula
- C23H17FO3
- Average molar mass
- 360.4 g/mol
- Monoisotopic mass
- 360.11617256
Names & identifiers
- Preferred name
- 2-(2-Fluoro-9H-xanthen-9-YL)-1-phenyl-1,3-butanedione
- IUPAC
- 2-(2-fluoro-9H-xanthen-9-yl)-1-phenylbutane-1,3-dione
- English name
- 2-(2-Fluoro-9H-xanthen-9-yl)-1-phenyl-1,3-butanedione
- Molecular formula
- C23H17FO3
- Molecular weight
- 360.38
Names & synonyms
2-(2-FLUORO-9H-XANTHEN-9-YL)-1-PHENYL-1,3-BUTANEDIONEAKOS0244128811,3-Butanedione, 2-(2-fluoro-9H-xanthen-9-yl)-1-phenyl-
Database identifiers
- CAS
428836-26-4- PubChem CID
- 2901434
- EC Number
- 134-229-3
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 556
Physicochemical properties
- Boiling point
- 481.828 · 481.828±45.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.258 · 1.258±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 8.522 · 8.522±0.20(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…