Phenylboronic acid

• Catalog Number: ACM98806
• Product Name: Phenylboronic acid
• CAS: 98-80-6
• Category: Heterocyclic Organic Compound
• Synonyms: Benzenboronic acid
• IUPAC Name: phenylboronic acid
• Molecular Weight: 121.93
• Molecular Formula: C6H7BO2
• Canonical SMILES: B(C1=CC=CC=C1)(O)O
• InChI: InChI=1S/C6H7BO2/c8-7(9)6-4-2-1-3-5-6/h1-5,8-9H
• InChI Key: HXITXNWTGFUOAU-UHFFFAOYSA-N
• Boiling Point: 265.9±23.0 °C
• Melting Point: 216-219 °C (lit.)
• Density: 1.13±0.1 g/ml
• Complexity: 79.1
• Covalently-Bonded Unit Count: 1
• EC Number: 202-701-9
• Exact Mass: 122.05391g/mol
• Formal Charge: 0
• H-Bond Acceptor: 2
• H-Bond Donor: 2
• Heavy Atom Count: 9
• LogP: 1.58 (LogP)
• Monoisotopic Mass: 122.05391g/mol
• NSC Number: 66487
• Rotatable Bond Count: 1
• UNII: L12H7B02G5

Custom Q&A

What is the molecular formula of phenylboronic acid?

The molecular formula of phenylboronic acid is C6H7BO2.

What is the molecular weight of phenylboronic acid?

The molecular weight of phenylboronic acid is 121.93 g/mol.

What is the IUPAC name of phenylboronic acid?

The IUPAC name of phenylboronic acid is phenylboronic acid.

What is the InChI of phenylboronic acid?

The InChI of phenylboronic acid is InChI=1S/C6H7BO2/c8-7(9)6-4-2-1-3-5-6/h1-5,8-9H.

What is the InChIKey of phenylboronic acid?

The InChIKey of phenylboronic acid is HXITXNWTGFUOAU-UHFFFAOYSA-N.

What is the canonical SMILES of phenylboronic acid?

The canonical SMILES of phenylboronic acid is B(C1=CC=CC=C1)(O)O.

What is the CAS number of phenylboronic acid?

The CAS number of phenylboronic acid is 98-80-6.

What is the common chemistry identifier (ChEMBL ID) of phenylboronic acid?

The common chemistry identifier (ChEMBL ID) of phenylboronic acid is CHEMBL21485.

What is the hydrogen bond donor count of phenylboronic acid?

The hydrogen bond donor count of phenylboronic acid is 2.

What is the hydrogen bond acceptor count of phenylboronic acid?

The hydrogen bond acceptor count of phenylboronic acid is 2.