CAS
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Specification
The molecular formula is C8H4BrClN2O2.
The molecular weight is 275.48 g/mol.
The IUPAC name is 3-bromo-6-chloroimidazo[1,2-a]pyridine-2-carboxylic acid.
The InChI is InChI=1S/C8H4BrClN2O2/c9-7-6(8(13)14)11-5-2-1-4(10)3-12(5)7/h1-3H,(H,13,14).
The InChIKey is MJAWBCUJQYCZBT-UHFFFAOYSA-N.
The canonical SMILES is C1=CC2=NC(=C(N2C=C1Cl)Br)C(=O)O.
The XLogP3-AA value is 3.3.
It has 1 hydrogen bond donor count.
It has 3 hydrogen bond acceptor counts.
It has 1 rotatable bond count.