Basic information
- Standard SMILES
CCOC(=O)CC(=O)C1C=CC=CC1(Cl)Cl- InChIKey
XYQWOQPCNCFNTN-UHFFFAOYSA-N- Molecular formula
- C11H12Cl2O3
- Average molar mass
- 263.11 g/mol
- Monoisotopic mass
- 262.0163496
Names & identifiers
- Preferred name
- Ethyl 2-chloro-o-chlorobenzoylacetate
- IUPAC
- ethyl 3-(6,6-dichlorocyclohexa-2,4-dien-1-yl)-3-oxopropanoate
Names & synonyms
SCHEMBL11162013XYQWOQPCNCFNTN-UHFFFAOYSA-Nethyl 2-chloro-o-chlorobenzoylacetate
Database identifiers
- PubChem CID
- 70528284
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 345
Related reactions
2 records
Compound notes
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