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The molecular formula is C8H8BClO4.
The molecular weight is 214.41 g/mol.
The IUPAC name is (3-chloro-4-methoxycarbonylphenyl)boronic acid.
The InChI is InChI=1S/C8H8BClO4/c1-14-8(11)6-3-2-5(9(12)13)4-7(6)10/h2-4,12-13H,1H3.
The InChIKey is DJOMWLVGTUQULT-UHFFFAOYSA-N.
The canonical SMILES is B(C1=CC(=C(C=C1)C(=O)OC)Cl)(O)O.
The CAS number is 603122-82-3.
There are 2 hydrogen bond donor counts.
There are 4 hydrogen bond acceptor counts.
There are 3 rotatable bond counts.
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