CAS
1263374-42-0 Purity
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1263374-42-0 Purity
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The molecular formula is C5H4BClFNO2.
The molecular weight is 175.35 g/mol.
The IUPAC name is (2-chloro-5-fluoropyridin-3-yl)boronic acid.
The InChI is InChI=1S/C5H4BClFNO2/c7-5-4(6(10)11)1-3(8)2-9-5/h1-2,10-11H.
The InChIKey is DRMCJBKKTDFORC-UHFFFAOYSA-N.
The canonical SMILES is B(C1=CC(=CN=C1Cl)F)(O)O.
The CAS number is 913373-43-0.
It has 2 hydrogen bond donor counts.
It has 4 hydrogen bond acceptor counts.
It has 1 rotatable bond count.