4-Bromo-2-trifluoromethylbenzo(h)quinoline
Basic information
- CAS
50509-76-7- Standard SMILES
FC(F)(F)c1cc(Br)c2ccc3ccccc3c2n1- InChIKey
WGBFMVUMOCFRSY-UHFFFAOYSA-N- Molecular formula
- C14H7BrF3N
- Average molar mass
- 326.11 g/mol
- Monoisotopic mass
- 324.9714
Names & identifiers
- Preferred name
- 4-Bromo-2-trifluoromethylbenzo(h)quinoline
- IUPAC
- 4-bromo-2-(trifluoromethyl)benzo[h]quinoline
- English name
- 4-Bromo-2-trifluoromethylbenzo[h]quinoline
- Molecular formula
- C14H7BrF3N
- Molecular weight
- 326.11
Names & synonyms
4-Bromo-2-trifluoromethylbenzo[h]quinoline50509-76-7DTXSID803480734-Bromo-2-trifluoromethylbenzo(h)quinolineRefChem:290785DTXCID10299145WGBFMVUMOCFRSY-UHFFFAOYSA-N4-bromo-2-(trifluoromethyl)benzo[h]quinolineDB-262954Benzo[h]quinoline, 4-bromo-2-(trifluoromethyl)-
Database identifiers
- CAS
50509-76-7- PubChem CID
- 629946
- DTXSID
DTXSID80348073
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 12.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 333
Physicochemical properties
- Boiling point
- 372.8 · 372.8±37.0 °C(Predicted)
- Density
- 1.625 · 1.625±0.06 g/cm3(Predicted)
- pka
- 1.73 · 1.73±0.40(Predicted)
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Related reactions
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Compound notes
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