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The molecular formula is C12H5BrO3.
The molecular weight is 277.07 g/mol.
The synonyms include 4-Bromo-1,8-naphthalic anhydride, 6-Bromobenzo[de]isochromene-1,3-dione, and 1H,3H-Naphtho[1,8-cd]pyran-1,3-dione, 6-bromo-.
The InChI is InChI=1S/C12H5BrO3/c13-9-5-4-8-10-6(9)2-1-3-7(10)11(14)16-12(8)15/h1-5H.
The InChIKey is DTUOTSLAFJCQHN-UHFFFAOYSA-N.
The computed XLogP3-AA value is 3.2.
It has 0 hydrogen bond donor count.
It has 3 hydrogen bond acceptor counts.
The topological polar surface area is 43.4Ų.
Yes, it is a canonicalized compound.
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