5,6,8-Trifluoro-4-hydroxy-3-quinolinecarboxylic acid
Basic information
- CAS
228728-94-7- Standard SMILES
O=C(O)c1c[nH]c2c(F)cc(F)c(F)c2c1=O- InChIKey
CCSCCLUZKNYJPT-UHFFFAOYSA-N- Molecular formula
- C10H4F3NO3
- Average molar mass
- 243.14 g/mol
- Monoisotopic mass
- 243.01432748
Names & identifiers
- Preferred name
- 5,6,8-Trifluoro-4-hydroxy-3-quinolinecarboxylic acid
- IUPAC
- 5,6,8-trifluoro-4-oxo-1H-quinoline-3-carboxylic acid
Names & synonyms
5,6,8-trifluoro-4-hydroxy-3-quinolinecarboxylic acidSCHEMBL6199948DTXSID401218264AKOS012105295228728-94-75,6,8-Trifluoro-4-hydroxyquinoline-3-carboxylic acid
Database identifiers
- CAS
228728-94-7- PubChem CID
- 18698656
- DTXSID
DTXSID401218264
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 66.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 398
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Compound notes
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