944580-91-0 Purity
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Specification
The molecular formula of the compound is C14H8F3IN2.
The molecular weight of the compound is 388.13 g/mol.
The IUPAC name of the compound is 2-(4-iodophenyl)-7-(trifluoromethyl)imidazo[1,2-a]pyridine.
The InChI of the compound is InChI=1S/C14H8F3IN2/c15-14(16,17)10-5-6-20-8-12(19-13(20)7-10)9-1-3-11(18)4-2-9/h1-8H.
The InChIKey of the compound is ZSIYQNVRJKZFMV-UHFFFAOYSA-N.
The canonical SMILES of the compound is C1=CC(=CC=C1C2=CN3C=CC(=CC3=N2)C(F)(F)F)I.
The CAS number of the compound is 944580-94-3.
The XLogP3-AA value of the compound is 5.
The compound has 0 hydrogen bond donor count.
The compound has 1 rotatable bond count.