CAS
1246404-48-7 Purity
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1246404-48-7 Purity
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The molecular formula is C11H15BClNO3.
It was created on August 8, 2012.
The IUPAC name is [2-chloro-6-(2,2-dimethylpropanoylamino)phenyl]boronic acid.
The InChIKey is SPNIKRUJDDBTIY-UHFFFAOYSA-N.
The molecular weight is 255.51 g/mol.
It has 3 hydrogen bond donor counts.
The exact mass is 255.0833512 g/mol.
It has 3 rotatable bond counts.
The topological polar surface area is 69.6Ų.
Yes, the compound is canonicalized.