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The molecular formula of 3-Bromomethyl-4-nitro-benzoic acid is C8H6BrNO4.
The structure was created on 2007-12-05 and modified on 2023-12-30.
The IUPAC name is 3-(bromomethyl)-4-nitrobenzoic acid.
The InChIKey is YVGHVCRKHIIHPG-UHFFFAOYSA-N.
There are four hydrogen bond acceptors.
The exact mass is 258.94802 g/mol.
There are two rotatable bonds.
The topological polar surface area is 83.1 Ų.
There are 14 heavy atoms.
Yes, it is considered a canonicalized compound.
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