93573-64-9 Purity
96%
If you have any other questions or need other size, please get a quote.
The molecular formula is C16H12ClN3.
It was created on 2008-04-14 and last modified on 2023-12-30.
The IUPAC name is 4-(4-chlorophenyl)-3-ethenyl-5-phenyl-1,2,4-triazole.
The InChI is InChI=1S/C16H12ClN3/c1-2-15-18-19-16(12-6-4-3-5-7-12)20(15)14-10-8-13(17)9-11-14/h2-11H,1H2.
The InChIKey is RIJJCHUUOBKWMC-UHFFFAOYSA-N.
The Canonical SMILES is C=CC1=NN=C(N1C2=CC=C(C=C2)Cl)C3=CC=CC=C3.
The molecular weight is 281.74 g/mol.
The compound has 0 hydrogen bond donor counts.
The topological polar surface area is 30.7 Ų.
Yes, the compound is canonicalized.