Basic information
- CAS
7358-86-3- Standard SMILES
O=C(/C=C/c1ccc(F)cc1Cl)c1ccc2c(c1)OCO2- InChIKey
HKUBQDJOOHMFGX-GORDUTHDSA-N- Molecular formula
- C16H10ClFO3
- Average molar mass
- 304.7 g/mol
- Monoisotopic mass
- 304.03025
Names & identifiers
- Preferred name
- 2-Propen-1-one, 3-(1,3-benzodioxol-5-yl)-1-(2-chloro-4-fluorophenyl)-
- IUPAC
- (E)-1-(1,3-benzodioxol-5-yl)-3-(2-chloro-4-fluorophenyl)prop-2-en-1-one
Names & synonyms
NSC 88513BRN 13218992'-Chloro-3,4-methylenedioxy-4'-fluorochalcone2'-Chloro-4'-fluoro-3,4-methylenedioxychalconeCHALCONE, 2'-CHLORO-4'-FLUORO-3,4-METHYLENEDIOXY-2-Propen-1-one, 3-(1,3-benzodioxol-5-yl)-1-(2-chloro-4-fluorophenyl)-5-19-04-00529 (Beilstein Handbook Reference)
Database identifiers
- CAS
7358-86-3- PubChem CID
- 6433503
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 414
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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