917482-45-2 Purity
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The molecular formula is C15H8F4N2O.
The molecular weight is 308.23 g/mol.
The compound was created on August 19, 2012.
The compound was last modified on December 30, 2023.
The IUPAC name is 2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]ethanone.
The InChI is InChI=1S/C15H8F4N2O/c16-11-2-4-12(5-3-11)21-13-6-1-9(7-10(13)8-20-21)14(22)15(17,18)19/h1-8H.
The InChIKey is ZNLMBTYMJKDZCS-UHFFFAOYSA-N.
The canonical SMILES is C1=CC(=CC=C1N2C3=C(C=C(C=C3)C(=O)C(F)(F)F)C=N2)F.
The compound has 6 hydrogen bond acceptor counts.
Yes, the compound is canonicalized.