CAS
91456-80-3 Purity
96%
91456-80-3 Purity
96%
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The molecular formula is C4H4F2N2.
The molecular weight is 118.08 g/mol.
The IUPAC name is 1-(difluoromethyl)imidazole.
The InChI is InChI=1S/C4H4F2N2/c5-4(6)8-2-1-7-3-8/h1-4H.
The InChIKey is QQJXCDUJHKLIBD-UHFFFAOYSA-N.
The canonical SMILES is C1=CN(C=N1)C(F)F.
The CAS number is 91459-68-6.
It has 3 hydrogen bond acceptors.
The topological polar surface area is 17.8 Å2.
Yes, it is a canonicalized compound.