2-Cyanophenylboronic acid

• Catalog Number: ACM138642623
• Product Name: 2-Cyanophenylboronic acid
• CAS: 138642-62-3
• Category: Boronic Acids
• Synonyms: 2-CYANOBENZENEBORONIC ACID;2-CYANOPHENYLBORONIC ACID;AKOS BRN-0034;RARECHEM AH PB 0208;2-Boronobenzonitrile;Boronic acid, (2-cyanophenyl)- (9CI);2-Cyanophenylboronic acid, >90%;o-CyanophenylboronicAcid
• IUPAC Name: (2-cyanophenyl)boronic acid
• Molecular Weight: 146.94g/mol
• Molecular Formula: C7H6BNO2
• Canonical SMILES: B(C1=CC=CC=C1C#N)(O)O
• InChI: InChI=1S/C7H6BNO2/c9-5-6-3-1-2-4-7(6)8(10)11/h1-4,10-11H
• InChI Key: NPLZNDDFVCGRAG-UHFFFAOYSA-N
• Complexity: 175
• Covalently-Bonded Unit Count: 1
• Exact Mass: 147.049159g/mol
• Formal Charge: 0
• H-Bond Acceptor: 3
• H-Bond Donor: 2
• Heavy Atom Count: 11
• Monoisotopic Mass: 147.049159g/mol
• Rotatable Bond Count: 1

Custom Q&A

What is the molecular formula of 2-Cyanophenylboronic acid?

The molecular formula of 2-Cyanophenylboronic acid is C7H6BNO2.

What is the molecular weight of 2-Cyanophenylboronic acid?

The molecular weight of 2-Cyanophenylboronic acid is 146.94 g/mol.

What is the IUPAC name of 2-Cyanophenylboronic acid?

The IUPAC name of 2-Cyanophenylboronic acid is (2-cyanophenyl)boronic acid.

What is the InChI key of 2-Cyanophenylboronic acid?

The InChI key of 2-Cyanophenylboronic acid is NPLZNDDFVCGRAG-UHFFFAOYSA-N.

What is the canonical SMILES of 2-Cyanophenylboronic acid?

The canonical SMILES of 2-Cyanophenylboronic acid is B(C1=CC=CC=C1C#N)(O)O.

What is the CAS number of 2-Cyanophenylboronic acid?

The CAS number of 2-Cyanophenylboronic acid is 138642-62-3.

How many hydrogen bond donor counts does 2-Cyanophenylboronic acid have?

2-Cyanophenylboronic acid has 2 hydrogen bond donor counts.

How many hydrogen bond acceptor counts does 2-Cyanophenylboronic acid have?

2-Cyanophenylboronic acid has 3 hydrogen bond acceptor counts.

How many rotatable bond counts does 2-Cyanophenylboronic acid have?

2-Cyanophenylboronic acid has 1 rotatable bond count.

What is the topological polar surface area of 2-Cyanophenylboronic acid?

The topological polar surface area of 2-Cyanophenylboronic acid is 64.2 Ų.