Basic information
- Standard SMILES
CC(C)(CCC(=O)O)C(=O)Oc1cc(Cl)ccc1Oc1ccc(Cl)cc1Cl- InChIKey
YPIREMOJNYKEAH-UHFFFAOYSA-N- Molecular formula
- C19H17Cl3O5
- Average molar mass
- 431.7 g/mol
Names & identifiers
- Preferred name
- 5-Chloro-2-(2,4-dichlorophenoxy)phenyl 4-carboxy-2,2-dimethylbutyrate
- IUPAC
- 5-[5-chloro-2-(2,4-dichlorophenoxy)phenoxy]-4,4-dimethyl-5-oxopentanoic acid
Names & synonyms
SCHEMBL10885721YPIREMOJNYKEAH-UHFFFAOYSA-N5-chloro-2-(2,4-dichlorophenoxy)phenyl 4-carboxy-2,2-dimethylbutyrate
Database identifiers
- PubChem CID
- 23322905
Properties
Computed structural properties
- XLogP
- 5.8
- Topological polar surface area
- 72.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 527
Related reactions
2 records
Compound notes
Loading…