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Basic information
- Standard SMILES
FC(F)(F)c1ccc(C=Cc2nc(COc3ccc(I)nn3)co2)cc1- InChIKey
QOHDHCRJYBKSQR-UHFFFAOYSA-N- Molecular formula
- C17H11F3IN3O2
- Average molar mass
- 473.19 g/mol
Names & identifiers
- Preferred name
- 3-Iodo-6-{2-[2-(4-trifluoromethyl-phenyl)-vinyl]-oxazol-4-ylmethoxy}-pyridazine
- IUPAC
- 4-[(6-iodopyridazin-3-yl)oxymethyl]-2-[2-[4-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazole
Names & synonyms
3-Iodo-6-{2-[2-(4-trifluoromethyl-phenyl)-vinyl]-oxazol-4-ylmethoxy}-pyridazineSCHEMBL5561053
Database identifiers
- PubChem CID
- 86600935
Properties
Computed structural propertiesFilling in
- XLogP
- 4
- Topological polar surface area
- 61 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 5
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 473
Related reactions
2 records
Compound notes
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