Basic information
- CAS
99922-96-0- Standard SMILES
CC(=O)c1ccc(Oc2ccc(Cl)c(Cl)c2)cc1- InChIKey
LCIWRRRBZKQFFC-UHFFFAOYSA-N- Molecular formula
- C14H10Cl2O2
- Average molar mass
- 281.1 g/mol
- Monoisotopic mass
- 280.0057849
Names & identifiers
- Preferred name
- Ethanone, 1-(4-(3,4-dichlorophenoxy)phenyl)-
- IUPAC
- 1-[4-(3,4-dichlorophenoxy)phenyl]ethanone
Names & synonyms
99922-96-0Ethanone, 1-(4-(3,4-dichlorophenoxy)phenyl)-1-[4-(3,4-dichlorophenoxy)phenyl]ethanone1-[4-(3,4-DICHLOROPHENOXY)PHENYL]-ETHANONEEthanone, 1-[4-(3,4-dichlorophenoxy)phenyl]-4'-(3,4-Dichlorophenoxy)acetophenoneCHEMBL441096DTXSID80244349AKOS0090472661-[4-(3,4-Dichlorophenoxy)phenyl]ethan-1-one
Database identifiers
- CAS
99922-96-0- PubChem CID
- 514862
- DTXSID
DTXSID80244349- ChEMBL
CHEMBL441096
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 288
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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