4-Bromophenylboronic acid

• CAS: 5467-74-3
• Catalog Number: ACM5467743
• Category: Boronic Acids
• Molecular Weight: 200.83
• Molecular Formula: C6H6BBrO2
• Synonyms: p-Bromo-benzeneboronicaci
• IUPAC Name: (4-bromophenyl)boronic acid
• Canonical SMILES: B(C1=CC=C(C=C1)Br)(O)O
• InChI: InChI=1S/C6H6BBrO2/c8-6-3-1-5(2-4-6)7(9)10/h1-4,9-10H
• InChI Key: QBLFZIBJXUQVRF-UHFFFAOYSA-N
• Boiling Point: 315.0±44.0 °C
• Melting Point: 284-288 °C (lit.)
• Density: 1.67±0.1 g/ml
• Complexity: 102
• Covalently-Bonded Unit Count: 1
• EC Number: 226-779-9
• Exact Mass: 199.96442g/mol
• Formal Charge: 0
• H-Bond Acceptor: 2
• H-Bond Donor: 2
• Heavy Atom Count: 10
• Monoisotopic Mass: 199.96442g/mol
• NSC Number: 25407
• Rotatable Bond Count: 1

Custom Q&A

What is the molecular formula of 4-Bromophenylboronic acid?

The molecular formula of 4-Bromophenylboronic acid is C6H6BBrO2.

What is the molecular weight of 4-Bromophenylboronic acid?

The molecular weight of 4-Bromophenylboronic acid is 200.83 g/mol.

What is the IUPAC name of 4-Bromophenylboronic acid?

The IUPAC name of 4-Bromophenylboronic acid is (4-bromophenyl)boronic acid.

What is the InChI of 4-Bromophenylboronic acid?

The InChI of 4-Bromophenylboronic acid is InChI=1S/C6H6BBrO2/c8-6-3-1-5(2-4-6)7(9)10/h1-4,9-10H.

What is the InChIKey of 4-Bromophenylboronic acid?

The InChIKey of 4-Bromophenylboronic acid is QBLFZIBJXUQVRF-UHFFFAOYSA-N.

What is the canonical SMILES of 4-Bromophenylboronic acid?

The canonical SMILES of 4-Bromophenylboronic acid is B(C1=CC=C(C=C1)Br)(O)O.

What is the CAS number of 4-Bromophenylboronic acid?

The CAS number of 4-Bromophenylboronic acid is 5467-74-3.

What is the European Community (EC) number of 4-Bromophenylboronic acid?

The European Community (EC) number of 4-Bromophenylboronic acid is 226-779-9.

What is the ChEMBL ID of 4-Bromophenylboronic acid?

The ChEMBL ID of 4-Bromophenylboronic acid is CHEMBL20866.

Is 4-Bromophenylboronic acid a canonicalized compound?

Yes, 4-Bromophenylboronic acid is a canonicalized compound.