2-Biphenylboronic Acid

• Catalog Number: ACM4688760
• Product Name: 2-Biphenylboronic Acid
• CAS: 4688-76-0
• Category: Boronic Acids
• Synonyms: 2-Phenylbenzeneboronic acid
• IUPAC Name: (2-phenylphenyl)boronic acid
• Molecular Weight: 198.03
• Molecular Formula: C12H11BO2
• Canonical SMILES: B(C1=CC=CC=C1C2=CC=CC=C2)(O)O
• InChI: InChI=1S/C12H11BO2/c14-13(15)12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9,14-15H
• InChI Key: HYCYKHYFIWHGEX-UHFFFAOYSA-N
• Boiling Point: 404.0±38.0 °C
• Melting Point: 167-172 °C (lit.)
• Density: 1.18 g/ml
• Complexity: 190
• Covalently-Bonded Unit Count: 1
• Exact Mass: 198.08521g/mol
• Formal Charge: 0
• H-Bond Acceptor: 2
• H-Bond Donor: 2
• Heavy Atom Count: 15
• Monoisotopic Mass: 198.08521g/mol
• Rotatable Bond Count: 2

Custom Q&A

What is the PubChem CID of 2-Biphenylboronic acid?

The PubChem CID of 2-Biphenylboronic acid is 4589187.

What is the molecular formula of 2-Biphenylboronic acid?

The molecular formula of 2-Biphenylboronic acid is C12H11BO2.

What is the molecular weight of 2-Biphenylboronic acid?

The molecular weight of 2-Biphenylboronic acid is 198.03 g/mol.

What is the IUPAC name of 2-Biphenylboronic acid?

The IUPAC name of 2-Biphenylboronic acid is (2-phenylphenyl)boronic acid.

What is the InChI of 2-Biphenylboronic acid?

The InChI of 2-Biphenylboronic acid is InChI=1S/C12H11BO2/c14-13(15)12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9,14-15H.

What is the InChIKey of 2-Biphenylboronic acid?

The InChIKey of 2-Biphenylboronic acid is HYCYKHYFIWHGEX-UHFFFAOYSA-N.

What is the canonical SMILES of 2-Biphenylboronic acid?

The canonical SMILES of 2-Biphenylboronic acid is B(C1=CC=CC=C1C2=CC=CC=C2)(O)O.

What is the CAS number of 2-Biphenylboronic acid?

The CAS number of 2-Biphenylboronic acid is 4688-76-0.

What is the DSSTox Substance ID of 2-Biphenylboronic acid?

The DSSTox Substance ID of 2-Biphenylboronic acid is DTXSID20404607.

Is 2-Biphenylboronic acid a canonicalized compound?

Yes, 2-Biphenylboronic acid is a canonicalized compound according to PubChem.