Basic information
- CAS
5538-91-0- Standard SMILES
O=C(/C=C/c1ccc(-c2ccccc2Cl)o1)c1ccc(F)cc1- InChIKey
QLWGPQNGCRLFIW-PKNBQFBNSA-N- Molecular formula
- C19H12ClFO2
- Average molar mass
- 326.7 g/mol
- Monoisotopic mass
- 326.0509855
Names & identifiers
- Preferred name
- (2E)-3-[5-(2-chlorophenyl)-2-furyl]-1-(4-fluorophenyl)prop-2-en-1-one
- IUPAC
- (E)-3-[5-(2-chlorophenyl)furan-2-yl]-1-(4-fluorophenyl)prop-2-en-1-one
Names & synonyms
5538-91-0(2E)-3-[5-(2-chlorophenyl)-2-furyl]-1-(4-fluorophenyl)prop-2-en-1-one(2E)-3-[5-(2-chlorophenyl)furan-2-yl]-1-(4-fluorophenyl)prop-2-en-1-oneZINC04158533DTXSID30416913STK952101(E)-3-[5-(2-chlorophenyl)furan-2-yl]-1-(4-fluorophenyl)prop-2-en-1-oneAKOS001595343NCGC00328625-01BIM-0030796.P001ST50076984AB01321771-02
Show more names
SR-01000404936SR-01000404936-1(2E)-3-[5-(2-chlorophenyl)(2-furyl)]-1-(4-fluorophenyl)prop-2-en-1-one3-[5-(2-chlorophenyl)-2-furyl]-1-(4-fluorophenyl)-2-propen-1-one
Database identifiers
- CAS
5538-91-0- PubChem CID
- 5340437
- DTXSID
DTXSID30416913
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 30.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 431
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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