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The molecular formula is C16H13ClN2O2.
The IUPAC name is 5-chloro-3-ethyl-2-naphthalen-1-ylimidazole-4-carboxylic acid.
The InChI code is InChI=1S/C16H13ClN2O2/c1-2-19-13(16(20)21)14(17)18-15(19)12-9-5-7-10-6-3-4-8-11(10)12/h3-9H,2H2,1H3,(H,20,21).
The InChIKey is BCHBMNPGNWLIEU-UHFFFAOYSA-N.
The canonical SMILES is CCN1C(=C(N=C1C2=CC=CC3=CC=CC=C32)Cl)C(=O)O.
The molecular weight is 300.74 g/mol.
The XLogP3-AA value is 4.
The compound has 1 hydrogen bond donor count.
The compound has 3 hydrogen bond acceptor counts.
The compound has 3 rotatable bond counts.
90645-55-9
9064-67-9
906477-11-0
906477-25-6
906482-48-2
90649-76-6
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