Basic information
- Standard SMILES
C=CC(=O)C(C)Oc1ccc(Oc2ccc(Br)cc2F)cc1- InChIKey
RORBLTBBBBHGKA-UHFFFAOYSA-N- Molecular formula
- C17H14BrFO3
- Average molar mass
- 365.2 g/mol
Names & identifiers
- Preferred name
- 4-(4-(4-Bromo-2-fluorophenoxy)phenoxy)-3-oxo-1-pentene
- IUPAC
- 4-[4-(4-bromo-2-fluorophenoxy)phenoxy]pent-1-en-3-one
Names & synonyms
SCHEMBL10682967RORBLTBBBBHGKA-UHFFFAOYSA-N4-(4-(4-Bromo-2-fluorophenoxy)phenoxy)-3-oxo-1-pentene
Database identifiers
- PubChem CID
- 20152597
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 382
Related reactions
1 records
Compound notes
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