CAS
115440-10-3 Purity
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115440-10-3 Purity
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Specification
The molecular formula is C6H4BrNO3.
The synonyms are 5-bromo-3-hydroxypyridine-2-carboxylic acid and 5-Bromo-3-hydroxypicolinicacid.
The molecular weight is 218.00 g/mol.
The IUPAC name is 5-bromo-3-hydroxypyridine-2-carboxylic acid.
The InChI is "InChI=1S/C6H4BrNO3/c7-3-1-4(9)5(6(10)11)8-2-3/h1-2,9H,(H,10,11)".
The InChIKey is "KNYSNNRQXSFAGE-UHFFFAOYSA-N".
The canonical SMILES is "C1=C(C=NC(=C1O)C(=O)O)Br".
The CAS number is 1160994-90-0.
Yes, it is canonicalized.