CAS
1338914-81-0 Purity
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1338914-81-0 Purity
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3-(2,3-Dimethylphenylcarbamoyl)phenylboronic acid
CAS
957060-99-0
Catalog Number
ACM957060990-1
Category
Boronic Acids
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What is the molecular formula of the compound?
The molecular formula of the compound is C15H16BNO3.
What is the IUPAC name of the compound?
The IUPAC name of the compound is [3-[(2,3-dimethylphenyl)carbamoyl]phenyl]boronic acid.
What is the InChI of the compound?
The InChI of the compound is InChI=1S/C15H16BNO3/c1-10-5-3-8-14(11(10)2)17-15(18)12-6-4-7-13(9-12)16(19)20/h3-9,19-20H,1-2H3,(H,17,18).
What is the InChIKey of the compound?
The InChIKey of the compound is YOBXXJGRRIXVDU-UHFFFAOYSA-N.
What is the CAS number of the compound?
The CAS number of the compound is 957060-99-0.
What is the molecular weight of the compound?
The molecular weight of the compound is 269.11 g/mol.
How many hydrogen bond donors are present in the compound?
There are 3 hydrogen bond donors in the compound.
How many hydrogen bond acceptors are present in the compound?
There are 3 hydrogen bond acceptors in the compound.
How many rotatable bonds are present 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 69.6 Ų.
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