3-(Cyanomethyl)benzeneboronic acid pinacol ester

• CAS: 396131-82-1
• Catalog Number: ACM396131821
• Category: Boronic Esters
• Molecular Weight: 243.11
• Molecular Formula: C₁₄H₁₈BNO₂
• Synonyms: 396131-82-1, 3-(CYANOMETHYL)BENZENEBORONIC ACID PINACOL ESTER, (3-Cyanomethyl)phenylboronic acid pinacol ester, 2-(3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)acetonitrile, 2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetonitrile, PubChem7790, AC1MCMT6, SureCN762075, Ambcb4034061, CTK8B3692, MolPort-001-759-476, ANW-42950, AKOS015950758, AB11170, RP28564, AK-48221, KB-31449, AB1004418, 3-Cyanomethylphenylboronic acid, pinacol ester,, B-3432
• IUPAC Name: 2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetonitrile
• Canonical SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC=C2)CC#N
• InChI Key: LIWPKYSGWSFPEE-UHFFFAOYSA-N
• Boiling Point: 379.5ºC at 760mmHg
• Melting Point: 44-48ºC
• Flash Point: 183.3ºC
• Density: 1.05g/cm³
• Exact Mass: 243.14300
• Hazard Statements: Xi: Irritant
• H-Bond Acceptor: 3
• H-Bond Donor: 0
• Safety Description: 26-36/37/39

Custom Q&A

What is the molecular formula of 3-(Cyanomethyl)benzeneboronic acid pinacol ester?

The molecular formula is C14H18BNO2.

What is the molecular weight of 3-(Cyanomethyl)benzeneboronic acid pinacol ester?

The molecular weight is 243.11 g/mol.

What is the IUPAC name of 3-(Cyanomethyl)benzeneboronic acid pinacol ester?

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

What is the CAS number of 3-(Cyanomethyl)benzeneboronic acid pinacol ester?

The CAS number is 396131-82-1.

How many hydrogen bond donor counts does 3-(Cyanomethyl)benzeneboronic acid pinacol ester have?

It has 0 hydrogen bond donor counts.

How many hydrogen bond acceptor counts does 3-(Cyanomethyl)benzeneboronic acid pinacol ester have?

It has 3 hydrogen bond acceptor counts.

How many rotatable bond counts does 3-(Cyanomethyl)benzeneboronic acid pinacol ester have?

It has 2 rotatable bond counts.

What is the exact mass of 3-(Cyanomethyl)benzeneboronic acid pinacol ester?

The exact mass is 243.1430590 g/mol.

What is the topological polar surface area of 3-(Cyanomethyl)benzeneboronic acid pinacol ester?

The topological polar surface area is 42.2Ų.

Is 3-(Cyanomethyl)benzeneboronic acid pinacol ester a canonicalized compound?

Yes, it is a canonicalized compound.