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The molecular formula of the compound is C12H13BrN2O.
The compound was created on May 28, 2009, and last modified on December 30, 2023.
The IUPAC name of the compound is 2-(3-bromophenyl)-5-tert-butyl-1,3,4-oxadiazole.
The Canonical SMILES of the compound is CC(C)(C)C1=NN=C(O1)C2=CC(=CC=C2)Br.
The InChIKey of the compound is PJHHEWRHJXZUJR-UHFFFAOYSA-N.
The molecular weight of the compound is 281.15 g/mol.
The compound has 3 Hydrogen Bond Acceptor Count.
The Topological Polar Surface Area value of the compound is 38.9 Å2.
The compound has 2 Rotatable Bond Count.
Yes, the compound is canonicalized.
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