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The molecular formula is C14H9Cl6N3O.
The molecular weight is 447.9 g/mol.
The IUPAC name is 2-[(E)-2-(4-methoxyphenyl)ethenyl]-4,6-bis(trichloromethyl)-1,3,5-triazine.
The InChI is InChI=1S/C14H9Cl6N3O/c1-24-9-5-2-8(3-6-9)4-7-10-21-11(13(15,16)17)23-12(22-10)14(18,19)20/h2-7H,1H3/b7-4+.
The InChIKey is MCNPOZMLKGDJGP-QPJJXVBHSA-N.
The canonical SMILES is COC1=CC=C(C=C1)C=CC2=NC(=NC(=N2)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl.
It has 0 hydrogen bond donor counts.
It has 4 hydrogen bond acceptor counts.
It has 3 rotatable bond counts.
The topological polar surface area is 47.9Ų.
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