4(1H)-Pyridazinone, 3-(phenylmethoxy)-1-(3-(trifluoromethyl)phenyl)-
Basic information
- CAS
146824-83-1- Standard SMILES
O=c1ccn(-c2cccc(C(F)(F)F)c2)nc1OCc1ccccc1- InChIKey
AVMFZGAPUSUDOR-UHFFFAOYSA-N- Molecular formula
- C18H13F3N2O2
- Average molar mass
- 346.3 g/mol
- Monoisotopic mass
- 346.09291215
Names & identifiers
- Preferred name
- 4(1H)-Pyridazinone, 3-(phenylmethoxy)-1-(3-(trifluoromethyl)phenyl)-
- IUPAC
- 3-phenylmethoxy-1-[3-(trifluoromethyl)phenyl]pyridazin-4-one
- English name
- 3-phenylmethoxy-1-[3-(trifluoromethyl)phenyl]pyridazin-4-one
- Molecular formula
- C18H13F3N2O2
- Molecular weight
- 346.3
Names & synonyms
146824-83-14(1H)-Pyridazinone, 3-(phenylmethoxy)-1-(3-(trifluoromethyl)phenyl)-3-(Phenylmethoxy)-1-(3-(trifluoromethyl)phenyl)-4(1H)-pyridazinoneDTXSID30163511RefChem:283494DTXCID00860023-phenylmethoxy-1-[3-(trifluoromethyl)phenyl]pyridazin-4-one3-(Benzyloxy)-1-(3-(trifluoromethyl)phenyl)pyridazin-4(1H)-one3-(Benzyloxy)-1-[3-(trifluoromethyl)phenyl]pyridazin-4(1H)-one4(1H)-Pyridazinone, 3-(phenylmethoxy)-1-[3-(trifluoromethyl)phenyl]-
Database identifiers
- CAS
146824-83-1- PubChem CID
- 3073153
- DTXSID
DTXSID30163511
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 41.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 539
Physicochemical properties
- Boiling point
- 435.9 · 435.9±55.0 °C(Predicted)
- Density
- 1.28 · 1.28±0.1 g/cm3(Predicted)
- pka
- -3.33 · -3.33±0.20(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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