CAS
913836-07-4 Purity
98%
913836-07-4 Purity
98%
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The molecular formula is C6H4BrNO3.
The molecular weight is 218.00 g/mol.
The IUPAC name is 5-bromo-2-oxo-1H-pyridine-4-carboxylic acid.
The InChIKey is SXQBUACWNOVEDX-UHFFFAOYSA-N.
The Canonical SMILES is C1=C(C(=CNC1=O)Br)C(=O)O.
The EC Number is 640-500-1.
The XLogP3-AA value is -0.1.
There are 2 hydrogen bond donor counts.
The topological polar surface area is 66.4 Ų.
Yes, the compound is canonicalized.