Basic information
- CAS
352694-48-5- Standard SMILES
CC1=NN(c2ccc(F)cc2)C(=O)C1=CNc1cccc(O)c1- InChIKey
USHOTBAQBQLFQU-UHFFFAOYSA-N- Molecular formula
- C17H14FN3O2
- Average molar mass
- 311.31 g/mol
Names & identifiers
- Preferred name
- CID 6745834
- IUPAC
- 2-(4-fluorophenyl)-4-[(3-hydroxyanilino)methylidene]-5-methylpyrazol-3-one
- English name
- 2-(4-fluorophenyl)-4-[(3-hydroxyanilino)methylene]-5-methyl-2,4-dihydro-3H-pyrazol-3-one
- Molecular formula
- C17H14FN3O2
- Molecular weight
- 311.31
Names & synonyms
2-(4-fluorophenyl)-4-[(3-hydroxyanilino)methylene]-5-methyl-2,4-dihydro-3H-pyrazol-3-one
Database identifiers
- CAS
352694-48-5
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 64.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 512
Physicochemical properties
- Boiling point
- 460.245 · 460.245±55.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.311 · 1.311±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 9.648 · 9.648±0.10(predicted)
Chemistry & industry
Suppliers1 total
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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