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The molecular formula of 3-Bromobenzoylacetonitrile is C9H6BrNO.
The molecular weight of 3-Bromobenzoylacetonitrile is 224.05 g/mol.
The IUPAC name of 3-Bromobenzoylacetonitrile is 3-(3-bromophenyl)-3-oxopropanenitrile.
The CAS number of 3-Bromobenzoylacetonitrile is 70591-86-5.
The XLogP3 value of 3-Bromobenzoylacetonitrile is 1.7.
There are 0 hydrogen bond donor counts in 3-Bromobenzoylacetonitrile.
There are 2 hydrogen bond acceptor counts in 3-Bromobenzoylacetonitrile.
There are 2 rotatable bond counts in 3-Bromobenzoylacetonitrile.
The topological polar surface area of 3-Bromobenzoylacetonitrile is 40.9Ų.
Yes, 3-Bromobenzoylacetonitrile is a canonicalized compound.
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