8-Bromo-6-fluoro-4-hydroxyquinoline-3-carboxylic acid
Basic information
- CAS
1019016-15-9- Standard SMILES
O=C(O)c1c[nH]c2c(Br)cc(F)cc2c1=O- InChIKey
LVUZMPYPFCZPIL-UHFFFAOYSA-N- Molecular formula
- C10H5BrFNO3
- Average molar mass
- 286.05 g/mol
- Monoisotopic mass
- 284.94368
Names & identifiers
- Preferred name
- 8-Bromo-6-fluoro-4-hydroxyquinoline-3-carboxylic acid
- IUPAC
- 8-bromo-6-fluoro-4-oxo-1H-quinoline-3-carboxylic acid
- English name
- 8-Bromo-6-fluoro-4-hydroxyquinoline-3-carboxylic acid
- Molecular formula
- C10H5BrFNO3
- Molecular weight
- 286.05
Names & synonyms
1019016-15-98-BROMO-6-FLUORO-4-HYDROXYQUINOLINE-3-CARBOXYLIC ACID8-bromo-6-fluoro-4-oxo-1H-quinoline-3-carboxylic AcidMFCD098613223-Quinolinecarboxylic acid, 8-bromo-6-fluoro-4-hydroxy-DTXSID40392911AKOS015834628SB68642BS-19132DB-058723CS-0212615F215897
Show more names
8-bromo-6-fluoro-4-hydroxy-3-Quinolinecarboxylic acid
8-BROMO-6-FLUORO-4-HYDROXYQUINOLINE-3-CARBOXYLICACID8-Bromo-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
Database identifiers
- CAS
1019016-15-9- PubChem CID
- 3483750
- DTXSID
DTXSID40392911
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 66.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 371
Physicochemical properties
- Boiling point
- 434.7 · 434.7±45.0 °C(Predicted)
- Density
- 1.931 · 1.931±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 0.37 · 0.37±0.30(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
- HS Code
- 2933499090 · 2933499090
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2933499090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…