Basic information
- Standard SMILES
CCOC(=O)C(C(=O)OCC)C(=O)c1ccc(I)cc1Cl- InChIKey
DCCXRWPPIMRECJ-UHFFFAOYSA-N- Molecular formula
- C14H14ClIO5
- Average molar mass
- 424.61 g/mol
Names & identifiers
- Preferred name
- Diethyl 2-(2-chloro-4-iodo-benzoyl)-malonate
- IUPAC
- diethyl 2-(2-chloro-4-iodobenzoyl)propanedioate
Names & synonyms
SCHEMBL7118291DCCXRWPPIMRECJ-UHFFFAOYSA-Ndiethyl 2-(2-chloro-4-iodo-benzoyl)-malonate
Database identifiers
- PubChem CID
- 19081735
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 69.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 383
Related reactions
4 records
Compound notes
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