Basic information
- CAS
724466-51-7- Standard SMILES
ON=C(c1ccc(O)cc1O)C(F)(F)F- InChIKey
OGMFRFRVVGULHG-UHFFFAOYSA-N- Molecular formula
- C8H6F3NO3
- Average molar mass
- 221.13 g/mol
Names & identifiers
- Preferred name
- 1-(2,4-Dihydroxyphenyl)-2,2,2-trifluoroethanone oxime
- IUPAC
- 4-[N-hydroxy-C-(trifluoromethyl)carbonimidoyl]benzene-1,3-diol
- English name
- Ethanone, 1-(2,4-dihydroxyphenyl)-2,2,2-trifluoro-, oxime (9CI)
- Molecular formula
- C8H6F3NO3
- Molecular weight
- 221.13
Names & synonyms
1-(2,4-dihydroxyphenyl)-2,2,2-trifluoroethanone oximeSCHEMBL1400368BDJWKAALQDQROL-UHFFFAOYSA-NOGMFRFRVVGULHG-UHFFFAOYSA-NEthanone, 1-(2,4-dihydroxyphenyl)-2,2,2-trifluoro-, oximeEthanone, 1-(2,4-dihydroxyphenyl)-2,2,2-trifluoro-, oxime (9CI)
Database identifiers
- CAS
724466-51-7
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 73.1 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 254
Physicochemical properties
- Boiling point
- 317.5 · 317.5±42.0 °C(Predicted)
- Density
- 1.54 · 1.54±0.1 g/cm3(Predicted)
- pka
- 7.9 · 7.90±0.40(Predicted)
Chemistry & industry
Suppliers1 total
CHEMSTEP[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…