4(1H)-Pyridazinone, 3-methoxy-6-methyl-1-(3-(trifluoromethyl)phenyl)-
Basic information
- CAS
146824-75-1- Standard SMILES
COc1nn(-c2cccc(C(F)(F)F)c2)c(C)cc1=O- InChIKey
KXRJCNLYMUVISK-UHFFFAOYSA-N- Molecular formula
- C13H11F3N2O2
- Average molar mass
- 284.23 g/mol
- Monoisotopic mass
- 284.07726208
Names & identifiers
- Preferred name
- 4(1H)-Pyridazinone, 3-methoxy-6-methyl-1-(3-(trifluoromethyl)phenyl)-
- IUPAC
- 3-methoxy-6-methyl-1-[3-(trifluoromethyl)phenyl]pyridazin-4-one
- English name
- 3-methoxy-6-methyl-1-[3-(trifluoromethyl)phenyl]pyridazin-4-one
- Molecular formula
- C13H11F3N2O2
- Molecular weight
- 284.23
Names & synonyms
146824-75-14(1H)-Pyridazinone, 3-methoxy-6-methyl-1-(3-(trifluoromethyl)phenyl)-3-Methoxy-6-methyl-1-(3-(trifluoromethyl)phenyl)-4(1H)-pyridazinoneDTXSID20163505m-Trifluoromethyl phenyl-1 dihydro-1,4 methoxy-3 oxo-4 methyl-6 pyridazine [French]m-Trifluoromethyl phenyl-1 dihydro-1,4 methoxy-3 oxo-4 methyl-6 pyridazineRefChem:283499DTXCID10859963-Methoxy-6-methyl-1-(3-(trifluoromethyl)phenyl)pyridazin-4(1H)-one3-Methoxy-6-methyl-1-[3-(trifluoromethyl)phenyl]pyridazin-4(1H)-one3-methoxy-6-methyl-1-[3-(trifluoromethyl)phenyl]pyridazin-4-oneSCHEMBL9593791
Show more names
4(1H)-Pyridazinone, 3-methoxy-6-methyl-1-[3-(trifluoromethyl)phenyl]-
Database identifiers
- CAS
146824-75-1- PubChem CID
- 3073145
- DTXSID
DTXSID20163505
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 41.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 457
Physicochemical properties
- Boiling point
- 334.5 · 334.5±52.0 °C(Predicted)
- Density
- 1.31 · 1.31±0.1 g/cm3(Predicted)
- pka
- -3.39 · -3.39±0.70(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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