4-Formylphenyl 3-fluorobenzoate
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Basic information
- CAS
332929-49-4- Standard SMILES
O=Cc1ccc(OC(=O)c2cccc(F)c2)cc1- InChIKey
RBSATZHUGWVUOQ-UHFFFAOYSA-N- Molecular formula
- C14H9FO3
- Average molar mass
- 244.22 g/mol
- Monoisotopic mass
- 244.05357231
Names & identifiers
- Preferred name
- 4-Formylphenyl 3-fluorobenzoate
- IUPAC
- (4-formylphenyl) 3-fluorobenzoate
- English name
- 4-formylphenyl 3-fluorobenzoate
- Molecular formula
- C14H9FO3
- Molecular weight
- 244.22
Names & synonyms
4-formylphenyl 3-fluorobenzoate332929-49-4(4-formylphenyl) 3-fluorobenzoateSBB099834STK090447AKOS000543568ST50338899AG-690/15444714Benzoic acid, 3-fluoro-, 4-formylphenyl ester
Database identifiers
- CAS
332929-49-4- PubChem CID
- 808788
Properties
Computed structural propertiesFilling in
- XLogP
- 2.9
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 297
Physicochemical properties
- Melting point
- 84.5 · 84.5-87 °C
- Boiling point
- 391.1 · 391.1±27.0 °C(Predicted)
- Density
- 1.294 · 1.294±0.06 g/cm3(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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