Basic information
- Standard SMILES
CCOC(=O)C(=O)C(Cl)c1ccccc1- InChIKey
RPGYXWCOHHXPPZ-UHFFFAOYSA-N- Molecular formula
- C11H11ClO3
- Average molar mass
- 226.65 g/mol
Names & identifiers
- Preferred name
- Ethyl 3-chloro-2-oxo-3-phenylpropanoate
- IUPAC
- ethyl 3-chloro-2-oxo-3-phenylpropanoate
Names & synonyms
ethyl 3-chloro-2-oxo-3-phenylpropanoate20375-16-0Benzenepropanoic acid, beta-chloro-alpha-oxo-, ethyl esterSCHEMBL3315040RPGYXWCOHHXPPZ-UHFFFAOYSA-Nethyl3-chloro-2-oxo-3-phenylpropanoateDB-1282993-Chloro-2-oxo-3-phenylpropanoic acid ethyl ester
Database identifiers
- PubChem CID
- 13833360
- Nikkaji
- J1.281.880G
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 234
Related reactions
1 records
Compound notes
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