CAS
1257640-81-5 Purity
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1257640-81-5 Purity
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The molecular formula is C6H4BClN2O2.
The PubChem CID is 44119735.
It was created on July 21, 2009.
The IUPAC name is (2-chloro-5-cyanopyridin-3-yl)boronic acid.
The InChI is InChI=1S/C6H4BClN2O2/c8-6-5(7(11)12)1-4(2-9)3-10-6/h1,3,11-12H.
The InChIKey is JOXTUWQJEBJZEK-UHFFFAOYSA-N.
The CAS number is 957060-96-7.
The molecular weight is 182.37 g/mol.
It has 2 hydrogen bond donor counts.
Yes, it is a canonicalized compound.