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The molecular formula is C10H6BrNO3.
The molecular weight is 268.06 g/mol.
The IUPAC Name is 5-(4-bromophenyl)-1,2-oxazole-3-carboxylic acid.
The InChI is InChI=1S/C10H6BrNO3/c11-7-3-1-6(2-4-7)9-5-8(10(13)14)12-15-9/h1-5H,(H,13,14).
The InChIKey is MLMNGXLPBJRYFI-UHFFFAOYSA-N.
The Canonical SMILES is C1=CC(=CC=C1C2=CC(=NO2)C(=O)O)Br.
The CAS number is 33282-23-4.
The XLogP3 value is 2.6.
The compound has 1 hydrogen bond donor count.
Yes, the compound is canonicalized.
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