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Structure

5-Cyano-2-methylphenylboronic acid

CAS
867333-43-5
Catalog Number
ACM867333435
Category
Other Products; Boronic Acids
Molecular Formula
C8H8BNO2

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May 23, 2023


A good liquid crystal material.
5-Cyano-2-methylphenylboronic acid shows good stability and can be used as a liquid crystal display material.

What is the IUPAC name of the compound?

The IUPAC name of the compound is (5-cyano-2-methylphenyl)boronic acid.

What is the molecular formula of the compound?

The molecular formula of the compound is C8H8BNO2.

What is the molecular weight of the compound?

The molecular weight of the compound is 160.97 g/mol.

What is the InChI of the compound?

The InChI of the compound is InChI=1S/C8H8BNO2/c1-6-2-3-7(5-10)4-8(6)9(11)12/h2-4,11-12H,1H3.

What is the InChIKey of the compound?

The InChIKey of the compound is IPDZHWUWADJUMR-UHFFFAOYSA-N.

What is the canonical SMILES of the compound?

The canonical SMILES of the compound is B(C1=C(C=CC(=C1)C#N)C)(O)O.

What is the CAS number of the compound?

The CAS number of the compound is 867333-43-5.

What is the European Community (EC) Number of the compound?

The European Community (EC) Number of the compound is 801-760-3.

What is the hydrogen bond donor count of the compound?

The compound has 2 hydrogen bond donor counts.

What is the hydrogen bond acceptor count of the compound?

The compound has 3 hydrogen bond acceptor counts.

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