CAS
850593-10-1 Purity
98%
850593-10-1 Purity
98%
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The molecular formula is C8H8BNO6.
The molecular weight is 224.97 g/mol.
The IUPAC name is (4-methoxycarbonyl-2-nitrophenyl)boronic acid.
The InChI is InChI=1S/C8H8BNO6/c1-16-8(11)5-2-3-6(9(12)13)7(4-5)10(14)15/h2-4,12-13H,1H3.
The InChIKey is SFEJGHJCGQNFQC-UHFFFAOYSA-N.
The canonical SMILES is B(C1=C(C=C(C=C1)C(=O)OC)[N+](=O)[O-])(O)O.
The CAS number is 85107-55-7.
The EC number is 672-929-5.
The DSSTox Substance ID is DTXSID60378494.
Yes, it is canonicalized.