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4-Ethenyl-5-methoxy-3-[3-(trifluoromethyl)phenyl]pyridazine

HCID 19959664
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
C=Cc1c(OC)cnnc1-c1cccc(C(F)(F)F)c1
InChIKey
ISVRFPCNXIOWEV-UHFFFAOYSA-N
Molecular formula
C14H11F3N2O
Average molar mass
280.24 g/mol

Names & identifiers

Preferred name
4-Ethenyl-5-methoxy-3-[3-(trifluoromethyl)phenyl]pyridazine
IUPAC
4-ethenyl-5-methoxy-3-[3-(trifluoromethyl)phenyl]pyridazine

Names & synonyms

4-ethenyl-5-methoxy-3-[3-(trifluoromethyl)phenyl]pyridazineSCHEMBL87401324-ethenyl-5-methoxy-3-[3-(trifluoromethyl) phenyl]pyridazine

Database identifiers

PubChem CID
19959664

Properties

Computed structural properties

XLogP
3.1
Topological polar surface area
35 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
6
Rotatable bonds
3
Heavy atoms
20
Formal charge
0
Complexity
335

Related reactions

3 records
New reaction record
HRID 52777 reaction equation
HRID 52777As productuspto-grants-1997_04
HRID 54653 reaction equation
HRID 54653As productuspto-grants-1997_04
HRID 702336 reaction equation
HRID 702336As productTraining data from https://doi.org/10.1039/C8SC04228D (3/10)

Compound notes

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