Basic information
- CAS
39719-61-4- Standard SMILES
CC(Oc1ccc(Cl)cc1)C(=O)OCC(O)COc1ccc(Cl)cc1- InChIKey
DXWPQJIDDJPZQO-UHFFFAOYSA-N- Molecular formula
- C18H18Cl2O5
- Average molar mass
- 385.2 g/mol
- Monoisotopic mass
- 384.0531291
Names & identifiers
- Preferred name
- 3-(4-Chlorophenoxy)-2-hydroxypropyl 2-(4-chlorophenoxy)propanoate
- IUPAC
- [3-(4-chlorophenoxy)-2-hydroxypropyl] 2-(4-chlorophenoxy)propanoate
Names & synonyms
3-(4-Chlorophenoxy)-2-hydroxypropyl 2-(4-chlorophenoxy)propanoate39719-61-4DTXSID10960323RefChem:1066805DTXCID701388183BRN 3010376Propanoic acid, 2-(4-chlorophenoxy)-, 3-(4-chlorophenoxy)-2-hydroxypropyl ester
Database identifiers
- CAS
39719-61-4- PubChem CID
- 217837
- DTXSID
DTXSID10960323
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 65 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 9
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 393
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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