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The molecular formula of 3-Bromo-4-pyridineboronic acid is C5H5BBrNO2.
The molecular weight of 3-Bromo-4-pyridineboronic acid is 201.82 g/mol.
The IUPAC name of 3-Bromo-4-pyridineboronic acid is (3-bromopyridin-4-yl)boronic acid.
The InChI of 3-Bromo-4-pyridineboronic acid is InChI=1S/C5H5BBrNO2/c7-5-3-8-2-1-4(5)6(9)10/h1-3,9-10H.
The InChIKey of 3-Bromo-4-pyridineboronic acid is KGJJYDKVEPQIKZ-UHFFFAOYSA-N.
The canonical SMILES of 3-Bromo-4-pyridineboronic acid is B(C1=C(C=NC=C1)Br)(O)O.
The CAS number of 3-Bromo-4-pyridineboronic acid is 458532-99-5.
3-Bromo-4-pyridineboronic acid has 2 hydrogen bond donor counts.
3-Bromo-4-pyridineboronic acid has 3 hydrogen bond acceptor counts.
The topological polar surface area of 3-Bromo-4-pyridineboronic acid is 53.4Ų.
452972-08-6
452972-09-7
458532-96-2
459856-12-3
465515-31-5
4688-76-0
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