248270-25-9 Purity
97%
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The molecular formula is C6H5BCl2O3.
The synonyms include 1335048-35-5, (3,5-dichloro-4-hydroxyphenyl)boronic acid, and MFCD19105364.
The molecular weight is 206.82 g/mol.
The IUPAC name is (3,5-dichloro-4-hydroxyphenyl)boronic acid.
The InChI is InChI=1S/C6H5BCl2O3/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2,10-12H.
The InChIKey is PLWASSWLQMNNCS-UHFFFAOYSA-N.
The Canonical SMILES is B(C1=CC(=C(C(=C1)Cl)O)Cl)(O)O.
The hydrogen bond donor count is 3.
The hydrogen bond acceptor count is 3.
The topological polar surface area is 60.7Ų.
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