N-[(4-fluorophenyl)methoxy]-1-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methanimine
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Basic information
- CAS
477711-35-6- Standard SMILES
Fc1ccc(CON=Cc2c[nH]nc2-c2ccc(F)cc2)cc1- InChIKey
ULNXCNNTBMFSKA-UHFFFAOYSA-N- Molecular formula
- C17H13F2N3O
- Average molar mass
- 313.3 g/mol
- Monoisotopic mass
- 313.10266837
Names & identifiers
- Preferred name
- N-[(4-fluorophenyl)methoxy]-1-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methanimine
- IUPAC
- N-[(4-fluorophenyl)methoxy]-1-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methanimine
- English name
- 3-(4-FLUOROPHENYL)-1H-PYRAZOLE-4-CARBALDEHYDE O-(4-FLUOROBENZYL)OXIME
- Molecular formula
- C17H13F2N3O
- Molecular weight
- 313.3
Names & synonyms
3-(4-FLUOROPHENYL)-1H-PYRAZOLE-4-CARBALDEHYDE O-(4-FLUOROBENZYL)OXIME1H-Pyrazole-4-carboxaldehyde, 3-(4-fluorophenyl)-, O-[(4-fluorophenyl)methyl]oxime(E)-{[3-(4-fluorophenyl)-1H-pyrazol-4-yl]methylidene}[(4-fluorophenyl)methoxy]amine
Database identifiers
- CAS
477711-35-6- PubChem CID
- 3700250
Properties
Computed structural propertiesFilling in
- XLogP
- 3.6
- Topological polar surface area
- 50.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 380
Physicochemical properties
- Boiling point
- 511.9 · 511.9±60.0 °C(Predicted)
- Density
- 1.26 · 1.26±0.1 g/cm3(Predicted)
- pka
- 12.4 · 12.40±0.50(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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