Basic information
- CAS
41965-60-0- Standard SMILES
CC(=O)OC(COc1ccc(Cl)cc1)COc1ccc(Cl)cc1- InChIKey
UFMVOTVTRDHLKX-UHFFFAOYSA-N- Molecular formula
- C17H16Cl2O4
- Average molar mass
- 355.2 g/mol
- Monoisotopic mass
- 354.0425644
Names & identifiers
- Preferred name
- 1,3-Bis(4-chlorophenoxy)propan-2-yl acetate
- IUPAC
- 1,3-bis(4-chlorophenoxy)propan-2-yl acetate
Names & synonyms
41965-60-01,3-bis(4-chlorophenoxy)propan-2-yl acetateNSC52604DTXSID40962118NSC-52604
Database identifiers
- CAS
41965-60-0- PubChem CID
- 243243
- DTXSID
DTXSID40962118
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 44.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 325
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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