3-Bromo-6-chloro-8-nitroquinoline
Basic information
- CAS
183543-61-5- Standard SMILES
O=[N+]([O-])c1cc(Cl)cc2cc(Br)cnc12- InChIKey
COVFYLACFRNJLF-UHFFFAOYSA-N- Molecular formula
- C9H4BrClN2O2
- Average molar mass
- 287.5 g/mol
- Monoisotopic mass
- 285.91447
Names & identifiers
- Preferred name
- 3-Bromo-6-chloro-8-nitroquinoline
- IUPAC
- 3-bromo-6-chloro-8-nitroquinoline
- English name
- 3-broMo-6-chloro-8-nitroquinoline
- Molecular formula
- C9H4BrClN2O2
- Molecular weight
- 287.5
Names & synonyms
3-bromo-6-chloro-8-nitroquinoline183543-61-5NSC673448CHEMBL1991016DTXSID503276383-bromo-6-chloro-8-nitro-quinolineMFCD16658649NSC-673448SB70803NCI60_026018SY517690DB-122622
Show more names
Quinoline, 3-bromo-6-chloro-8-nitro-
3-Bromo-6-chloro-8-(hydroxy(oxido)amino)quinolineInChI=1/C9H4BrClN2O2/c10-6-1-5-2-7(11)3-8(13(14)15)9(5)12-4-6/h1-4
Database identifiers
- CAS
183543-61-5- PubChem CID
- 384158
- DTXSID
DTXSID50327638- ChEMBL
CHEMBL1991016- Nikkaji
- J1.285.817E
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 58.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 261
Physicochemical properties
- Melting point
- 173 · 173-175 °C
- Boiling point
- 377.9 · 377.9±37.0 °C(Predicted)
- Density
- 1.834 · 1.834±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- -2.05 · -2.05±0.31(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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