947533-49-5 Purity
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Specification
The molecular formula is C15H11BrN2O2.
The synonym for the compound is 4-(8-Bromo-imidazo[1,2-a]pyridin-2-yl)-benzoic acid methyl ester.
The molecular weight of the compound is 331.16 g/mol.
The compound was created on April 27, 2010, and modified on December 30, 2023.
The IUPAC name of the compound is methyl 4-(8-bromoimidazo[1,2-a]pyridin-2-yl)benzoate.
The InChI of the compound is InChI=1S/C15H11BrN2O2/c1-20-15(19)11-6-4-10(5-7-11)13-9-18-8-2-3-12(16)14(18)17-13/h2-9H,1H3.
The InChIKey of the compound is FFMOLIRVOKLOCG-UHFFFAOYSA-N.
The Canonical SMILES of the compound is COC(=O)C1=CC=C(C=C1)C2=CN3C=CC=C(C3=N2)Br.
The XLogP3-AA of the compound is 4.
The hydrogen bond acceptor count of the compound is 3.