4-(Cyanomethyl)benzeneboronic acid pinacol ester

• CAS: 138500-86-4
• Catalog Number: ACM138500864
• Category: Boronic Esters
• Molecular Weight: 243.11
• Molecular Formula: C₁₄H₁₈BNO₂

Custom Q&A

What is the molecular formula of 4-(Cyanomethyl)benzeneboronic acid pinacol ester?

The molecular formula is C14H18BNO2.

When was the structure of 4-(Cyanomethyl)benzeneboronic acid pinacol ester created and modified?

It was created on September 11, 2005, and modified on December 2, 2023.

What is the IUPAC name of 4-(Cyanomethyl)benzeneboronic acid pinacol ester?

The IUPAC name is 2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetonitrile.

What is the InChI key of 4-(Cyanomethyl)benzeneboronic acid pinacol ester?

The InChI key is URWMFRYGXSHPRV-UHFFFAOYSA-N.

How many hydrogen bond acceptor counts does 4-(Cyanomethyl)benzeneboronic acid pinacol ester have?

It has 3 hydrogen bond acceptor counts.

What is the exact mass of 4-(Cyanomethyl)benzeneboronic acid pinacol ester?

The exact mass is 243.1430590 g/mol.

Does 4-(Cyanomethyl)benzeneboronic acid pinacol ester have any defined atom stereocenters?

No, it does not have any defined atom stereocenters.

How many covalently-bonded unit counts does 4-(Cyanomethyl)benzeneboronic acid pinacol ester have?

It has 1 covalently-bonded unit count.

What is the topological polar surface area of 4-(Cyanomethyl)benzeneboronic acid pinacol ester?

The topological polar surface area is 42.2 Ų.

Is 4-(Cyanomethyl)benzeneboronic acid pinacol ester canonicalized?

Yes, the compound is canonicalized.