944284-86-0 Purity
96%
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The molecular formula of the compound is C7H5F3N2O2.
The IUPAC name of the compound is 4-methyl-5-nitro-2-(trifluoromethyl)pyridine.
The InChI of the compound is InChI=1S/C7H5F3N2O2/c1-4-2-6(7(8,9)10)11-3-5(4)12(13)14/h2-3H,1H3.
The InChIKey of the compound is YAVOZQHDJFJNPM-UHFFFAOYSA-N.
The canonical SMILES of the compound is CC1=CC(=NC=C1[N+](=O)[O-])C(F)(F)F.
The molecular weight of the compound is 206.12 g/mol.
The XLogP3-AA value of the compound is 2.
The compound has 0 hydrogen bond donor counts.
The compound has 6 hydrogen bond acceptor counts.
The compound has 0 rotatable bond counts.
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