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The molecular formula is C9H10BNO6.
The molecular weight is 238.99 g/mol.
The IUPAC name is (3-ethoxycarbonyl-5-nitrophenyl)boronic acid.
The InChI is InChI=1S/C9H10BNO6/c1-2-17-9(12)6-3-7(10(13)14)5-8(4-6)11(15)16/h3-5,13-14H,2H2,1H3.
The InChIKey is JTIBFRZYCUDXOK-UHFFFAOYSA-N.
The canonical SMILES is B(C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)OCC)(O)O.
The CAS number is 850568-37-5.
The DSSTox Substance ID is DTXSID40378437.
Yes, it is canonicalized according to PubChem.
850568-14-8
850568-32-0
850568-34-2
850568-46-6
850568-52-4
850568-54-6
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