915754-88-0 Purity
96%
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Specification
The molecular formula is C13H10F3NO2S.
The molecular weight is 301.29 g/mol.
The IUPAC name is 5-(benzenesulfonyl)-2-(trifluoromethyl)aniline.
The InChI is InChI=1S/C13H10F3NO2S/c14-13(15,16)11-7-6-10(8-12(11)17)20(18,19)9-4-2-1-3-5-9/h1-8H,17H2.
The InChIKey is JNLPAVGXQZPUNU-UHFFFAOYSA-N.
The canonical SMILES is C1=CC=C(C=C1)S(=O)(=O)C2=CC(=C(C=C2)C(F)(F)F)N.
The compound has 1 hydrogen bond donor count.
The compound has 6 hydrogen bond acceptor counts.
The topological polar surface area is 68.5 Ų.
Yes, the compound is canonicalized in PubChem.