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The molecular formula is C12H5BrO3.
The molecular weight is 277.07 g/mol.
The IUPAC name is 7-bromo-3-oxatricyclo[7.3.1.0 5,13 ]trideca-1(12),5(13),6,8,10-pentaene-2,4-dione.
The InChI is InChI=1S/C12H5BrO3/c13-7-4-6-2-1-3-8-10(6)9(5-7)12(15)16-11(8)14/h1-5H.
The InChIKey is LYXFXCSFCWZGNZ-UHFFFAOYSA-N.
The canonical SMILES is C1=CC2=CC(=CC3=C2C(=C1)C(=O)OC3=O)Br.
The CAS identifier is 24050-49-5.
The hydrogen bond donor count is 0.
Yes, it is a canonicalized compound.
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