Basic information
- Standard SMILES
CCOC(=O)CC1(O)C(Cl)=C(Cl)C(=O)C(Cl)=C1Cl- InChIKey
SLLCRXDAMDHQMU-UHFFFAOYSA-N- Molecular formula
- C10H8Cl4O4
- Average molar mass
- 334 g/mol
Names & identifiers
- Preferred name
- Ethyl (2,3,5,6-tetrachloro-1-hydroxy-4-oxocyclohexa-2,5-dien-1-yl)acetate
- IUPAC
- ethyl 2-(2,3,5,6-tetrachloro-1-hydroxy-4-oxocyclohexa-2,5-dien-1-yl)acetate
Names & synonyms
SCHEMBL10250086SLLCRXDAMDHQMU-UHFFFAOYSA-Nethyl(2,3,5,6-tetrachloro-1-hydroxy-4-oxocyclohexa-2,5-dien-1-yl)acetateethyl (2,3,5,6-tetrachloro-1-hydroxy-4-oxocyclohexa-2,5-dien-1-yl)acetate
Database identifiers
- PubChem CID
- 57465818
- Nikkaji
- J2.276.858A
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 438
Related reactions
5 records
Compound notes
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