Basic information
- Standard SMILES
CCOC(=O)C(=O)C(Cl)C(=O)c1ccccn1.Cl- InChIKey
DYLCGWDDOIJZRT-UHFFFAOYSA-N- Molecular formula
- C11H11Cl2NO4
- Average molar mass
- 292.11 g/mol
Names & identifiers
- Preferred name
- Ethyl 3-chloro-4-(2-pyridyl)-2,4-dioxo-butyrate hydrochloride
- IUPAC
- ethyl 3-chloro-2,4-dioxo-4-pyridin-2-ylbutanoate;hydrochloride
Names & synonyms
SCHEMBL10671162DYLCGWDDOIJZRT-UHFFFAOYSA-Nethyl 3-chloro-4-(2-pyridyl)-2,4-dioxo-butyrate hydrochloride
Database identifiers
- PubChem CID
- 20144948
Properties
Computed structural properties
- Topological polar surface area
- 73.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 319
Related reactions
4 records
Compound notes
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