1072951-85-9 Purity
94%
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Specification
The molecular formula is C6H4BCl2NO4.
The synonyms are 2,4-DICHLORO-5-NITROPHENYLBORONIC ACID, 1072952-12-5, (2,4-dichloro-5-nitrophenyl)boronic acid.
The molecular weight is 235.82 g/mol.
The IUPAC name is (2,4-dichloro-5-nitrophenyl)boronic acid.
The InChI is InChI=1S/C6H4BCl2NO4/c8-4-2-5(9)6(10(13)14)1-3(4)7(11)12/h1-2,11-12H.
The InChIKey is QZUUWAWNYJMANP-UHFFFAOYSA-N.
The canonical SMILES is B(C1=CC(=C(C=C1Cl)Cl)[N+](=O)[O-])(O)O.
The CAS number is 1072952-12-5.
Yes, it is a canonicalized compound.