3-Bromo-6-chloroquinolin-8-amine
Basic information
- CAS
183543-65-9- Standard SMILES
Nc1cc(Cl)cc2cc(Br)cnc12- InChIKey
VTEHYIYYGYXIEA-UHFFFAOYSA-N- Molecular formula
- C9H6BrClN2
- Average molar mass
- 257.51 g/mol
- Monoisotopic mass
- 255.94029
Names & identifiers
- Preferred name
- 3-Bromo-6-chloroquinolin-8-amine
- IUPAC
- 3-bromo-6-chloroquinolin-8-amine
- English name
- 3-broMo-6-chloro-8-QuinolinaMine
- Molecular formula
- C9H6BrClN2
- Molecular weight
- 257.51
Names & synonyms
3-bromo-6-chloroquinolin-8-amine183543-65-9DTXSID00305385RefChem:277649DTXCID50256515NSC1706208-amino-3-bromo-6-chloroquinolineNSC-170620SB70850DB-1244813-broMo-6-chloro-8-QuinolinaMine8-Quinolinamine, 3-bromo-6-chloro-
Database identifiers
- CAS
183543-65-9- PubChem CID
- 298465
- DTXSID
DTXSID00305385
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 38.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 190
Physicochemical properties
- Melting point
- 117 · 117-118 °C
- Boiling point
- 390.4 · 390.4±37.0 °C(Predicted)
- Density
- 1.749 · 1.749±0.06 g/cm3(Predicted)
- pka
- 0.32 · 0.32±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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