2-((4-(3-Chloro-5-(trifluoromethyl)-2-pyridyloxy)phenyl)methylene)indan-1-one
Basic information
- CAS
497060-08-9- Standard SMILES
O=C1C(=Cc2ccc(Oc3ncc(C(F)(F)F)cc3Cl)cc2)Cc2ccccc21- InChIKey
AJCRCOONDLYRKW-UHFFFAOYSA-N- Molecular formula
- C22H13ClF3NO2
- Average molar mass
- 415.8 g/mol
- Monoisotopic mass
- 415.0586908
Names & identifiers
- Preferred name
- 2-((4-(3-Chloro-5-(trifluoromethyl)-2-pyridyloxy)phenyl)methylene)indan-1-one
- IUPAC
- 2-[[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]-3H-inden-1-one
- English name
- 2-(4-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy}benzylidene)-1-indanone
- Molecular formula
- C22H13ClF3NO2
- Molecular weight
- 415.79
Names & synonyms
497060-08-92-[[4-[[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylene]-2,3-dihydro-1H-inden-1-oneC22H13ClF3NO2DTXSID801115494XUA060082-((4-(3-CHLORO-5-(TRIFLUOROMETHYL)-2-PYRIDYLOXY)PHENYL)METHYLENE)INDAN-1-ONE2-[[4-[[3-chloro-5-(trifluoromethyl)-2-pyridyl]oxy]phenyl]methylene]indan-1-one2-[(4-{[3-Chloro-5-(trifluoromethyl)pyridin-2-yl]oxy}phenyl)methylidene]-2,3-dihydro-1H-inden-1-one2-(4-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy}benzylidene)-1-indanone
Database identifiers
- CAS
497060-08-9- PubChem CID
- 4199896
- DTXSID
DTXSID801115494
Properties
Computed structural properties
- XLogP
- 6.1
- Topological polar surface area
- 39.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 630
Physicochemical properties
- Boiling point
- 506.919 · 506.919±50.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.424 · 1.424±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 0.294 · 0.294±0.10(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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