Basic information
- CAS
339020-10-9- Standard SMILES
O=C(COc1ccc(Cc2ncc(C(F)(F)F)cc2Cl)cc1)c1ccc(Br)cc1- InChIKey
ZSVARLYMQOBBFL-UHFFFAOYSA-N- Molecular formula
- C21H14BrClF3NO2
- Average molar mass
- 484.7 g/mol
Names & identifiers
- Preferred name
- 1-(4-Bromophenyl)-2-[4-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]methyl]phenoxy]ethanone
- IUPAC
- 1-(4-bromophenyl)-2-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]phenoxy]ethanone
- English name
- 1-(4-Bromophenyl)-2-(4-([3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl)phenoxy)-1-ethanone
- Molecular formula
- C21H14BrClF3NO2
- Molecular weight
- 484.69
Names & synonyms
339020-10-91-(4-bromophenyl)-2-(4-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl}phenoxy)-1-ethanone1-(4-bromophenyl)-2-(4-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]methyl}phenoxy)ethan-1-one1-(4-bromophenyl)-2-[4-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]methyl]phenoxy]ethanoneAKOS0051013537N-7431-(4-Bromophenyl)-2-(4-([3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl)phenoxy)-1-ethanoneEthanone, 1-(4-bromophenyl)-2-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]phenoxy]-
Database identifiers
- CAS
339020-10-9
Properties
Computed structural properties
- XLogP
- 6.4
- Topological polar surface area
- 39.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 535
Physicochemical properties
- Boiling point
- 540.1 · 540.1±50.0 °C(Predicted)
- Density
- 1.497 · 1.497±0.06 g/cm3(Predicted)
- pka
- 0.19 · 0.19±0.20(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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