Basic information
- Standard SMILES
CC(=O)CC(C=Cc1ccc(Cl)cc1Cl)OC(=O)CBr- InChIKey
ZROOTRSABOZWHI-UHFFFAOYSA-N- Molecular formula
- C14H13BrCl2O3
- Average molar mass
- 380.1 g/mol
Names & identifiers
- Preferred name
- 6-(2,4-Dichlorophenyl)-2-oxo-5-hexene-4-yl 2-Bromoacetate
- IUPAC
- [1-(2,4-dichlorophenyl)-5-oxohex-1-en-3-yl] 2-bromoacetate
Names & synonyms
SCHEMBL10740136SCHEMBL107401406-(2,4-Dichlorophenyl)-2-oxo-5-hexene-4-yl 2-Bromoacetate
Database identifiers
- PubChem CID
- 54562568
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 373
Related reactions
4 records
Compound notes
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