3-(2,4-Dichlorophenoxy)piperidine
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Basic information
- CAS
946725-72-0- Standard SMILES
Clc1ccc(OC2CCCNC2)c(Cl)c1- InChIKey
OUOJNSQTASRMSZ-UHFFFAOYSA-N- Molecular formula
- C11H13Cl2NO
- Average molar mass
- 246.13 g/mol
- Monoisotopic mass
- 245.0374194
Names & identifiers
- Preferred name
- 3-(2,4-Dichlorophenoxy)piperidine
- IUPAC
- 3-(2,4-dichlorophenoxy)piperidine
- English name
- 3-(2,4-DICHLOROPHENOXY)PIPERIDINE
- Molecular formula
- C11H13Cl2NO
- Molecular weight
- 246.13
Names & synonyms
3-(2,4-DICHLOROPHENOXY)PIPERIDINE946725-72-0SCHEMBL2092162DTXSID60663019AKOS005263823EN300-1982834Piperidine, 3-(2,4-dichlorophenoxy)-
Database identifiers
- CAS
946725-72-0- PubChem CID
- 45075387
- DTXSID
DTXSID60663019
Properties
Computed structural propertiesFilling in
- XLogP
- 3.3
- Topological polar surface area
- 21.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 203
Physicochemical properties
- Boiling point
- 341.8 · 341.8±42.0 °C(Predicted)
- Density
- 1.256 · 1.256±0.06 g/cm3(Predicted)
- pka
- 8.97 · 8.97±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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