4-Bromo-6-chloro-2,8-dimethylquinoline
Basic information
- CAS
1070879-68-3- Standard SMILES
Cc1cc(Br)c2cc(Cl)cc(C)c2n1- InChIKey
IRIMGAFVUOMEJM-UHFFFAOYSA-N- Molecular formula
- C11H9BrClN
- Average molar mass
- 270.55 g/mol
- Monoisotopic mass
- 268.96069
Names & identifiers
- Preferred name
- 4-Bromo-6-chloro-2,8-dimethylquinoline
- IUPAC
- 4-bromo-6-chloro-2,8-dimethylquinoline
- English name
- 4-Bromo-6-chloro-2,8-dimethylquinoline
- Molecular formula
- C11H9BrClN
- Molecular weight
- 270.55
Names & synonyms
4-Bromo-6-chloro-2,8-dimethylquinoline1070879-68-3DTXSID00653717Quinoline, 4-bromo-6-chloro-2,8-dimethyl-
Database identifiers
- CAS
1070879-68-3- PubChem CID
- 39346161
- DTXSID
DTXSID00653717
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 12.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 211
Physicochemical properties
- Boiling point
- 352 · 352.0±37.0 °C(Predicted)
- Density
- 1.524 · 1.524±0.06 g/cm3(Predicted)
- pka
- 3.42 · 3.42±0.50(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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