Basic information
- CAS
477710-94-4- Standard SMILES
Cc1ccc(S(=O)(=O)n2ccc(-c3ccc(OCc4c(F)cccc4Cl)cc3)n2)cc1- InChIKey
ZUQKGWCJJZWYHB-UHFFFAOYSA-N- Molecular formula
- C23H18ClFN2O3S
- Average molar mass
- 456.9 g/mol
Names & identifiers
- Preferred name
- 3-{4-[(2-chloro-6-fluorobenzyl)oxy]phenyl}-1-[(4-methylphenyl)sulfonyl]-1H-pyrazole
- IUPAC
- 3-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-1-(4-methylphenyl)sulfonylpyrazole
- English name
- 2-Chloro-6-fluorobenzyl 4-(1-[(4-methylphenyl)sulfonyl]-1H-pyrazol-3-yl)phenyl ether
- Molecular formula
- C23H18ClFN2O3S
- Molecular weight
- 456.92
Names & synonyms
477710-94-43-{4-[(2-chloro-6-fluorobenzyl)oxy]phenyl}-1-[(4-methylphenyl)sulfonyl]-1H-pyrazole3-{4-[(2-chloro-6-fluorophenyl)methoxy]phenyl}-1-(4-methylbenzenesulfonyl)-1H-pyrazole3-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-1-(4-methylphenyl)sulfonylpyrazoleSMR000168756Oprea1_557623MLS000331265CHEMBL1510019HMS2381K05AKOS0050862162R-00753-(4-[(2-CHLORO-6-FLUOROBENZYL)OXY]PHENYL)-1-[(4-METHYLPHENYL)SULFONYL]-1H-PYRAZOLE
Show more names
2-Chloro-6-fluorobenzyl 4-(1-[(4-methylphenyl)sulfonyl]-1H-pyrazol-3-yl)phenyl ether1H-Pyrazole, 3-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-1-[(4-methylphenyl)sulfonyl]-
Database identifiers
- CAS
477710-94-4
Properties
Computed structural properties
- XLogP
- 5.7
- Topological polar surface area
- 69.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 675
Physicochemical properties
- Boiling point
- 630.2 · 630.2±65.0 °C(Predicted)
- Density
- 1.33 · 1.33±0.1 g/cm3(Predicted)
- pka
- -4.31 · -4.31±0.19(Predicted)
Chemistry & industry
Suppliers3 total
Ryan Scientific, Inc.[email protected]
Key Organics Ltd.[email protected]
BIONET-INTER[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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