2,6-Dichloro-3-ethyl-8-methylquinoline
Basic information
- CAS
1031927-98-6- Standard SMILES
CCc1cc2cc(Cl)cc(C)c2nc1Cl- InChIKey
ZYRWSUAIIDHWBB-UHFFFAOYSA-N- Molecular formula
- C12H11Cl2N
- Average molar mass
- 240.12 g/mol
- Monoisotopic mass
- 239.0268547
Names & identifiers
- Preferred name
- 2,6-Dichloro-3-ethyl-8-methylquinoline
- IUPAC
- 2,6-dichloro-3-ethyl-8-methylquinoline
- English name
- 2,6-DICHLORO-3-ETHYL-8-METHYLQUINOLINE
- Molecular formula
- C12H11Cl2N
- Molecular weight
- 240.13
Names & synonyms
2,6-Dichloro-3-ethyl-8-methylquinoline1031927-98-6DTXSID70653603AKOS012839758DB-058943Quinoline, 2,6-dichloro-3-ethyl-8-methyl-
Database identifiers
- CAS
1031927-98-6- PubChem CID
- 39346002
- DTXSID
DTXSID70653603
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 12.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 222
Physicochemical properties
- Boiling point
- 337 · 337.0±37.0 °C(Predicted)
- Density
- 1.265 · 1.265±0.06 g/cm3(Predicted)
- pka
- -0.27 · -0.27±0.50(Predicted)
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Compound notes
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