Basic information
- CAS
36640-61-6- Standard SMILES
OCc1cn(-c2ccc(F)cc2)nc1-c1ccccc1- InChIKey
CLXXDOZMFPFMSR-UHFFFAOYSA-N- Molecular formula
- C16H13FN2O
- Average molar mass
- 268.28 g/mol
Names & identifiers
- Preferred name
- (1-(4-Fluorophenyl)-3-phenyl-1H-pyrazol-4-YL)methanol
- IUPAC
- [1-(4-fluorophenyl)-3-phenylpyrazol-4-yl]methanol
- English name
- (1-(4-Fluorophenyl)-3-phenyl-1H-pyrazol-4-yl)methanol
- Molecular formula
- C16H13FN2O
- Molecular weight
- 268.29
Names & synonyms
(1-(4-FLUOROPHENYL)-3-PHENYL-1H-PYRAZOL-4-YL)METHANOL36640-61-6AKOS023343359SALOR-INT L446122-1EA1H-Pyrazole-4-methanol, 1-(4-fluorophenyl)-3-phenyl-JR-2363, (1-(4-Fluorophenyl)-3-phenyl-1H-pyrazol-4-yl)methanol, 97%
Database identifiers
- CAS
36640-61-6
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 38.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 301
Physicochemical properties
- Boiling point
- 454.6 · 454.6±45.0 °C(Predicted)
- Density
- 1.21 · 1.21±0.1 g/cm3(Predicted)
- pka
- 13.82 · 13.82±0.10(Predicted)
Chemistry & industry
Suppliers5 total
Dr. Jagath Reddy's Heterocyclics[email protected]
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
SIGMAALDRICH—
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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