Basic information
- Standard SMILES
COC(=O)c1ccc(Cl)c(OCCc2ccc(Cl)cc2Cl)c1- InChIKey
LTTASULUKIJNEP-UHFFFAOYSA-N- Molecular formula
- C16H13Cl3O3
- Average molar mass
- 359.6 g/mol
- Monoisotopic mass
- 357.993027
Names & identifiers
- Preferred name
- 4-Chloro-3-[2-(2,4-dichloro-phenyl)-ethoxy]-benzoic Acid Methyl Ester
- IUPAC
- methyl 4-chloro-3-[2-(2,4-dichlorophenyl)ethoxy]benzoate
Names & synonyms
SCHEMBL6066471LTTASULUKIJNEP-UHFFFAOYSA-N4-Chloro-3-[2-(2,4-dichloro-phenyl)-ethoxy]-benzoic Acid Methyl Ester
Database identifiers
- PubChem CID
- 69652287
Properties
Computed structural properties
- XLogP
- 5.6
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 367
Related reactions
6 records
Compound notes
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