62150-45-2 Purity
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Specification
The molecular formula is C7H6BrNO3.
The synonyms are 886365-22-6, 5-bromo-2-methoxyisonicotinic acid, 5-BROMO-2-METHOXY-ISONICOTINIC ACID, and 5-BROMO-2-METHOXYPYRIDINE-4-CARBOXYLIC ACID.
The molecular weight is 232.03 g/mol.
It was created on July 12, 2012.
The IUPAC name is 5-bromo-2-methoxypyridine-4-carboxylic acid.
The InChI is InChI=1S/C7H6BrNO3/c1-12-6-2-4(7(10)11)5(8)3-9-6/h2-3H,1H3,(H,10,11).
The InChIKey is JZBHBRMXZANNNF-UHFFFAOYSA-N.
The canonical SMILES is COC1=NC=C(C(=C1)C(=O)O)Br.
The XLogP3-AA value is 1.4.
Yes, it is a canonicalized compound.