CAS
223433-45-2 Purity
98%
223433-45-2 Purity
98%
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5-Bromo-2-(isopropoxy)pyridine-4-boronic acid
CAS
1451390-98-9
Catalog Number
ACM1451390989
Category
Boronic Acids
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What is the IUPAC name of the compound?
The IUPAC name of the compound is (5-bromo-2-propan-2-yloxypyridin-4-yl)boronic acid.
What is the molecular formula of the compound?
The molecular formula of the compound is C8H11BBrNO3.
What is the molecular weight of the compound?
The molecular weight of the compound is 259.90 g/mol.
What is the InChI of the compound?
The InChI of the compound is InChI=1S/C8H11BBrNO3/c1-5(2)14-8-3-6(9(12)13)7(10)4-11-8/h3-5,12-13H,1-2H3.
What is the InChIKey of the compound?
The InChIKey of the compound is PJONIWOYCSHBHC-UHFFFAOYSA-N.
What is the canonical SMILES of the compound?
The canonical SMILES of the compound is B(C1=CC(=NC=C1Br)OC(C)C)(O)O.
How many hydrogen bond donor atoms are in the compound?
There are 2 hydrogen bond donor atoms in the compound.
How many hydrogen bond acceptor atoms are in the compound?
There are 4 hydrogen bond acceptor atoms in the compound.
How many rotatable bonds are in the compound?
There are 3 rotatable bonds in the compound.
What is the topological polar surface area of the compound?
The topological polar surface area of the compound is 62.6Ų.
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