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August 11, 2023
Because of the mistake, I bought the wrong specification of 3-methoxycarbonyl-5-nitrophenylboronic acid, and I quickly got the goods after consulting.
The molecular formula is C8H8BNO6.
The molecular weight is 224.97 g/mol.
The IUPAC name is (3-methoxycarbonyl-5-nitrophenyl)boronic acid.
The InChI key is CDGIRLKQNJXHBJ-UHFFFAOYSA-N.
The canonical SMILES is B(C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)OC)(O)O.
The CAS number is 117342-20-8.
The EC number is 833-747-3.
The ChEMBL ID is CHEMB88902.
The hydrogen bond donor count is 2.
The hydrogen bond acceptor count is 6.
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