Basic information
- CAS
1346791-10-3- Standard SMILES
O=C(/C=C/c1ccc(-c2ccc(Cl)c(Cl)c2)o1)c1ccc(F)cc1- InChIKey
KQEXRBGZAHCHRN-RMKNXTFCSA-N- Molecular formula
- C19H11Cl2FO2
- Average molar mass
- 361.2 g/mol
Names & identifiers
- Preferred name
- 3-[5-(3,4-Dichlorophenyl)-2-furyl]-1-(4-fluorophenyl)-2-propen-1-one
- IUPAC
- (E)-3-[5-(3,4-dichlorophenyl)furan-2-yl]-1-(4-fluorophenyl)prop-2-en-1-one
- English name
- 3-[5-(3,4-dichlorophenyl)-2-furyl]-1-(4-fluorophenyl)-2-propen-1-one
- Molecular formula
- C19H11Cl2FO2
- Molecular weight
- 361.19
Names & synonyms
3-[5-(3,4-dichlorophenyl)-2-furyl]-1-(4-fluorophenyl)-2-propen-1-oneCHEMBL2235068AKOS001595332(E)-3-[5-(3,4-dichlorophenyl)furan-2-yl]-1-(4-fluorophenyl)prop-2-en-1-oneNCGC00328569-01AB01321585-02AG-690/11451336SR-01000404934SR-01000404934-1(2E)-3-[5-(3,4-DICHLOROPHENYL)FURAN-2-YL]-1-(4-FLUOROPHENYL)PROP-2-EN-1-ONE2-Propen-1-one, 3-[5-(3,4-dichlorophenyl)-2-furanyl]-1-(4-fluorophenyl)-, (2E)-
Database identifiers
- CAS
1346791-10-3- ChEMBL
CHEMBL2235068
Properties
Computed structural properties
- XLogP
- 5.8
- Topological polar surface area
- 30.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 462
Physicochemical properties
- Melting point
- 133 · 133-135 °C
- Boiling point
- 500.8 · 500.8±50.0 °C(Predicted)
- Density
- 1.357 · 1.357±0.06 g/cm3(Predicted)
Chemistry & industry
Suppliers2 total
OTAVA-BB[email protected]
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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