5-Hydroxyflufenamic acid
Basic information
- CAS
39062-67-4- Standard SMILES
O=C(O)c1cc(O)ccc1Nc1cccc(C(F)(F)F)c1- InChIKey
HXTLXQUVSUWKKB-UHFFFAOYSA-N- Molecular formula
- C14H10F3NO3
- Average molar mass
- 297.23 g/mol
- Monoisotopic mass
- 297.06127767
Names & identifiers
- Preferred name
- 5-Hydroxyflufenamic acid
- IUPAC
- 5-hydroxy-2-[3-(trifluoromethyl)anilino]benzoic acid
- English name
- 5-hydroxyflufenamic acid
- Molecular formula
- C14H10F3NO3
- Molecular weight
- 297.23
Names & synonyms
5-Hydroxyflufenamic acid39062-67-4DTXSID20192310RefChem:102883DTXCID30114801BRN 29997895-hydroxy-2-[3-(trifluoromethyl)anilino]benzoic acid5-Hydroxy-2-((3-(trifluoromethyl)phenyl)amino)benzoic acid5-Hydroxy-N-(3-trifluoromethylphenyl)anthralinsaeure [German]5-Hydroxy-N-(3-trifluoromethylphenyl)anthralinsaeureCHEMBL405562SCHEMBL23691075
Show more names
Benzoic acid, 5-hydroxy-2-[[3-(trifluoromethyl)phenyl]amino]-
HXTLXQUVSUWKKB-UHFFFAOYSA-NBenzoic acid, 5-hydroxy-2-((3-(trifluoromethyl)phenyl)amino)-
Database identifiers
- CAS
39062-67-4- PubChem CID
- 161992
- DTXSID
DTXSID20192310- ChEMBL
CHEMBL405562
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 69.6 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 375
Physicochemical properties
- Boiling point
- 405.7 · 405.7±45.0 °C(Predicted)
- Density
- 1.486 · 1.486±0.06 g/cm3(Predicted)
- pka
- 3.58 · 3.58±0.36(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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