Basic information
- Standard SMILES
CCCC(=O)C(=Cc1ccccc1Cl)C(=O)OCC- InChIKey
ORCQPYOJWWKGAY-UHFFFAOYSA-N- Molecular formula
- C15H17ClO3
- Average molar mass
- 280.74 g/mol
Names & identifiers
- Preferred name
- Ethyl 2-(2-chlorophenyl)methylene-3-oxohexanoate
- IUPAC
- ethyl 2-[(2-chlorophenyl)methylidene]-3-oxohexanoate
Names & synonyms
SCHEMBL6292315ORCQPYOJWWKGAY-UHFFFAOYSA-Nethyl 2-(2-chlorophenyl)methylen-3-oxohexanoateethyl 2-(2-chlorophenyl)methylene-3-oxohexanoate
Database identifiers
- PubChem CID
- 69733996
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 349
Related reactions
3 records
Compound notes
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