CAS
853955-72-3 Purity
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853955-72-3 Purity
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Specification
The molecular formula is C6H5BClNO4.
The molecular weight is 201.37 g/mol.
It was created on September 17, 2005.
It was last modified on December 30, 2023.
The IUPAC name is (4-chloro-3-nitrophenyl)boronic acid.
The InChI is InChI=1S/C6H5BClNO4/c8-5-2-1-4(7(10)11)3-6(5)9(12)13/h1-3,10-11H.
The InChIKey is LQCCRPUZTXKDGB-UHFFFAOYSA-N.
The canonical SMILES is B(C1=CC(=C(C=C1)Cl)[N+](=O)[O-])(O)O.
The CAS number is 151169-67-4.
Yes, it is a canonicalized compound in PubChem.