Basic information
- CAS
339020-12-1- Standard SMILES
Cc1ccc(C(COc2ccc(Cc3ncc(C(F)(F)F)cc3Cl)cc2)=NOCc2ccc(Cl)cc2Cl)cc1- InChIKey
WJJOBYKXLFEHQY-UHFFFAOYSA-N- Molecular formula
- C29H22Cl3F3N2O2
- Average molar mass
- 593.8 g/mol
Names & identifiers
- Preferred name
- 2-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]phenoxy]-N-[(2,4-dichlorophenyl)methoxy]-1-(4-methylphenyl)ethanimine
- IUPAC
- 2-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]phenoxy]-N-[(2,4-dichlorophenyl)methoxy]-1-(4-methylphenyl)ethanimine
- English name
- 2-(4-([3-Chloro-5-(trifluoromethyl)-2-pyridinyl]methyl)phenoxy)-1-(4-methylphenyl)-1-ethanone O-(2,4-dichlorobenzyl)oxime
- Molecular formula
- C29H22Cl3F3N2O2
- Molecular weight
- 593.85
Names & synonyms
2-(4-([3-Chloro-5-(trifluoromethyl)-2-pyridinyl]methyl)phenoxy)-1-(4-methylphenyl)-1-ethanone O-(2,4-dichlorobenzyl)oximeEthanone, 2-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]phenoxy]-1-(4-methylphenyl)-, O-[(2,4-dichlorophenyl)methyl]oxime(E)-[2-(4-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]methyl}phenoxy)-1-(4-methylphenyl)ethylidene][(2,4-dichlorophenyl)methoxy]amine
Database identifiers
- CAS
339020-12-1
Properties
Computed structural properties
- XLogP
- 9.4
- Topological polar surface area
- 43.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 9
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 773
Physicochemical properties
- Boiling point
- 629.971 · 629.971±65.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.325 · 1.325±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 1.09 · 1.090±0.10(predicted)
Chemistry & industry
Suppliers2 total
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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