2,7-Dichloro-3-ethylquinoline
Basic information
- CAS
132118-51-5- Standard SMILES
CCc1cc2ccc(Cl)cc2nc1Cl- InChIKey
CPMBFXPQWNYBMB-UHFFFAOYSA-N- Molecular formula
- C11H9Cl2N
- Average molar mass
- 226.1 g/mol
- Monoisotopic mass
- 225.0112047
Names & identifiers
- Preferred name
- 2,7-Dichloro-3-ethylquinoline
- IUPAC
- 2,7-dichloro-3-ethylquinoline
- English name
- 2,7-Dichloro-3-ethylquinoline
- Molecular formula
- C11H9Cl2N
- Molecular weight
- 226.1
Names & synonyms
2,7-Dichloro-3-ethylquinoline132118-51-5DTXSID10653607RefChem:248750DTXCID70604357DB-062878Quinoline, 2,7-dichloro-3-ethyl-
Database identifiers
- CAS
132118-51-5- PubChem CID
- 39346010
- DTXSID
DTXSID10653607
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 12.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 198
Physicochemical properties
- Boiling point
- 326 · 326.0±37.0 °C(Predicted)
- Density
- 1.303 · 1.303±0.06 g/cm3(Predicted)
- pka
- -1.06 · -1.06±0.50(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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