2-(2-chloranyl-3-fluoranyl-phenyl)-3,4,4-trimethyl-5H-1,3-oxazol-3-ium iodide

Systemtic Name: 2-(2-chloranyl-3-fluoranyl-phenyl)-3,4,4-trimethyl-5H-1,3-oxazol-3-ium iodide Openeye Name: 2-(2-chloro-3-fluoro-phenyl)-3,4,4-trimethyl-5H-oxazol-3-ium iodide CAS Name: 2-(2-chloro-3-fluorophenyl)-3,4,4-trimethyl-5H-oxazol-3-ium iodide IUPAC Name: 2-(2-chloro-3-fluorophenyl)-3,4,4-trimethyl-5H-1,3-oxazol-3-ium iodide Traditional Name: 2-(2-chloro-3-fluoro-phenyl)-3,4,4-trimethyl-2-oxazolin-3-ium iodide Formula: C12H14ClFINO MolecularWeight: 369.601533

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Descriptors Computed from Structure

Canonical SMILES:

CC1(COC(=[N+]1C)C2=C(C(=CC=C2)F)Cl)C.[I-]

Isomeric SMILES

CC1(COC(=[N+]1C)C2=C(C(=CC=C2)F)Cl)C.[I-]

InChI

InChI=1S/C12H14ClFNO.HI/c1-12(2)7-16-11(15(12)3)8-5-4-6-9(14)10(8)13;/h4-6H,7H2,1-3H3;1H/q+1;/p-1