Basic information
- Standard SMILES
O=C(O)c1c(F)c(O)c(F)c(F)c1C(=O)O- InChIKey
BYXIMXYJZPMWAX-UHFFFAOYSA-N- Molecular formula
- C8H3F3O5
- Average molar mass
- 236.1 g/mol
- Monoisotopic mass
- 235.99325768
Names & identifiers
- Preferred name
- 3,4,6-Trifluoro-5-hydroxyphthalic acid
- IUPAC
- 3,4,6-trifluoro-5-hydroxyphthalic acid
Names & synonyms
3,4,6-Trifluoro-5-hydroxyphthalic acid28749-88-43,4,6-trifluoro-5-hydroxy-phthalic AcidMoxifloxacin Impurity 182SCHEMBL7579018SCHEMBL29773954AKOS0407681193,5,6-trifluoro-4-hydroxyphthalic acid4-HYDROXY-3,5,6-TRIFLUOROPHTHALIC ACID
Database identifiers
- PubChem CID
- 10198587
- Nikkaji
- J1.635.187C
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 94.8 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 310
Related reactions
17 records
Compound notes
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