Basic information
- CAS
113760-02-4- Standard SMILES
O=C1CCN(c2ccc(Cl)cc2Cl)CC1- InChIKey
JUKBFIBHTNWOMG-UHFFFAOYSA-N- Molecular formula
- C11H11Cl2NO
- Average molar mass
- 244.11 g/mol
- Monoisotopic mass
- 243.0217694
Names & identifiers
- Preferred name
- 1-(2,4-Dichlorophenyl)piperidin-4-one
- IUPAC
- 1-(2,4-dichlorophenyl)piperidin-4-one
- English name
- 1-(2,4-dichlorophenyl)piperidin-4-one
- Molecular formula
- C11H11Cl2NO
- Molecular weight
- 244.12
Names & synonyms
SCHEMBL7284283AKOS0002025381-(2,4-dichlorophenyl)piperidin-4-one4-Piperidinone, 1-(2,4-dichlorophenyl)-
Database identifiers
- CAS
113760-02-4- PubChem CID
- 19867054
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 20.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 237
Physicochemical properties
- Boiling point
- 386.5 · 386.5±42.0 °C(Predicted)
- Density
- 1.34 · 1.340±0.06 g/cm3(Predicted)
- pka
- 3.69 · 3.69±0.40(Predicted)
Chemistry & industry
Suppliers1 total
UKRORGSYN-BB[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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