CAS
928338-22-1 Purity
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928338-22-1 Purity
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Specification
The molecular formula is C6H4F7IO.
The molecular weight is 351.99 g/mol.
The IUPAC name is (E)-4,4,5,5,6,6,6-heptafluoro-2-iodohex-2-en-1-ol.
The InChI is InChI=1S/C6H4F7IO/c7-4(8,1-3(14)2-15)5(9,10)6(11,12)13/h1,15H,2H2/b3-1+.
The InChIKey is AAIXLNBYXIVUKR-HNQUOIGGSA-N.
The canonical SMILES is C(C(=CC(C(C(F)(F)F)(F)F)(F)F)I)O.
The isomeric SMILES is C(/C(=C\C(C(C(F)(F)F)(F)F)(F)F)/I)O.
The CAS number is 92835-82-0.
The XLogP3-AA value is 3.2.
Yes, the compound is canonicalized.