1-[3-[4-[(2,4-Dichlorophenyl)methoxy]phenyl]pyrazol-1-yl]-3-[4-(3-fluoropropoxy)phenyl]prop-2-en-1-one
Basic information
- CAS
477711-56-1- Standard SMILES
O=C(C=Cc1ccc(OCCCF)cc1)n1ccc(-c2ccc(OCc3ccc(Cl)cc3Cl)cc2)n1- InChIKey
KEKITUQICDPYEE-UHFFFAOYSA-N- Molecular formula
- C28H23Cl2FN2O3
- Average molar mass
- 525.4 g/mol
Names & identifiers
- Preferred name
- 1-[3-[4-[(2,4-Dichlorophenyl)methoxy]phenyl]pyrazol-1-yl]-3-[4-(3-fluoropropoxy)phenyl]prop-2-en-1-one
- IUPAC
- 1-[3-[4-[(2,4-dichlorophenyl)methoxy]phenyl]pyrazol-1-yl]-3-[4-(3-fluoropropoxy)phenyl]prop-2-en-1-one
- English name
- (E)-1-(3-(4-[(2,4-Dichlorobenzyl)oxy]phenyl)-1H-pyrazol-1-yl)-3-[4-(3-fluoropropoxy)phenyl]-2-propen-1-one
- Molecular formula
- C28H23Cl2FN2O3
- Molecular weight
- 525.4
Names & synonyms
(E)-1-(3-(4-[(2,4-Dichlorobenzyl)oxy]phenyl)-1H-pyrazol-1-yl)-3-[4-(3-fluoropropoxy)phenyl]-2-propen-1-one2-Propen-1-one, 1-[3-[4-[(2,4-dichlorophenyl)methoxy]phenyl]-1H-pyrazol-1-yl]-3-[4-(3-fluoropropoxy)phenyl]-(2E)-1-(3-{4-[(2,4-dichlorophenyl)methoxy]phenyl}-1H-pyrazol-1-yl)-3-[4-(3-fluoropropoxy)phenyl]prop-2-en-1-one
Database identifiers
- CAS
477711-56-1
Properties
Computed structural properties
- XLogP
- 7.3
- Topological polar surface area
- 53.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 10
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 698
Physicochemical properties
- Boiling point
- 705.088 · 705.088±70.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.263 · 1.263±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- -1.352 · -1.352±0.10(predicted)
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…