Basic information
- Standard SMILES
CCOC(=O)C1Oc2cc(C=O)c(Cl)c(Cl)c2O1- InChIKey
ZTKPKYABXZAGCL-UHFFFAOYSA-N- Molecular formula
- C11H8Cl2O5
- Average molar mass
- 291.08 g/mol
Names & identifiers
- Preferred name
- Ethyl 4,5-dichloro-6-formyl-1,3-benzodioxole-2-carboxylate
- IUPAC
- ethyl 4,5-dichloro-6-formyl-1,3-benzodioxole-2-carboxylate
Names & synonyms
SCHEMBL10399099ZTKPKYABXZAGCL-UHFFFAOYSA-Nethyl 4,5-dichloro-6-formyl-1,3-benzodioxole-2-carboxylate
Database identifiers
- PubChem CID
- 14748638
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 61.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 337
Related reactions
9 records
Compound notes
Loading…