4-(4-Chlorophenyl)-1,1-dimethoxybutan-2-one
Basic information
- CAS
6956-47-4- Standard SMILES
COC(OC)C(=O)CCc1ccc(Cl)cc1- InChIKey
MOCJTRKKKQWQAI-UHFFFAOYSA-N- Molecular formula
- C12H15ClO3
- Average molar mass
- 242.7 g/mol
- Monoisotopic mass
- 242.070972
Names & identifiers
- Preferred name
- 4-(4-Chlorophenyl)-1,1-dimethoxybutan-2-one
- IUPAC
- 4-(4-chlorophenyl)-1,1-dimethoxybutan-2-one
Names & synonyms
6956-47-44-(4-chlorophenyl)-1,1-dimethoxy-2-butanone4-(4-chlorophenyl)-1,1-dimethoxybutan-2-oneNSC65041DTXSID10289869NSC-65041
Database identifiers
- CAS
6956-47-4- PubChem CID
- 248323
- DTXSID
DTXSID10289869
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 208
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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