1031929-01-7 Purity
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Specification
The molecular formula is C11H11BrN2O2.
The molecular weight is 283.12 g/mol.
The IUPAC name is ethyl 2-(6-bromoimidazo[1,2-a]pyridin-3-yl)acetate.
The InChI is InChI=1S/C11H11BrN2O2/c1-2-16-11(15)5-9-6-13-10-4-3-8(12)7-14(9)10/h3-4,6-7H,2,5H2,1H3.
The InChIKey is NXSULFYVLBGQDA-UHFFFAOYSA-N.
The canonical SMILES is CCOC(=O)CC1=CN=C2N1C=C(C=C2)Br.
The CAS number is 603311-76-8.
It has 3 hydrogen bond acceptor counts.
The Topological Polar Surface Area is 43.6Ų.
Yes, the compound is canonicalized.
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