1,4-Phenylenebisboronic acid

• CAS: 4612-26-4
• Catalog Number: ACM4612264-2
• Category: Boronic Acids
• Molecular Weight: 165.75
• Molecular Formula: C6H8B2O4
• Synonyms: Benzene-1,4-diboronic acid; 1,4-Benzenediboronic acid;1,4-Phenylenediboronic Acid; 1,4-Phenylenebis(boronic acid)
• IUPAC Name: (4-boronophenyl)boronic acid
• Canonical SMILES: B(C1=CC=C(C=C1)B(O)O)(O)O
• InChI: InChI=1S/C6H8B2O4/c9-7(10)5-1-2-6(4-3-5)8(11)12/h1-4,9-12H
• InChI Key: BODYVHJTUHHINQ-UHFFFAOYSA-N
• Melting Point: >350 °C-lit.
• Complexity: 118
• Covalently-Bonded Unit Count: 1
• Exact Mass: 166.060869g/mol
• Formal Charge: 0
• H-Bond Acceptor: 4
• H-Bond Donor: 4
• Heavy Atom Count: 12
• Monoisotopic Mass: 166.060869g/mol
• NSC Number: 25410
• Rotatable Bond Count: 2

Custom Q&A

What is the molecular formula of 1,4-Phenylenebisboronic acid?

The molecular formula of 1,4-Phenylenebisboronic acid is C6H8B2O4.

What is the molecular weight of 1,4-Phenylenebisboronic acid?

The molecular weight of 1,4-Phenylenebisboronic acid is 165.75 g/mol.

What is the IUPAC name of 1,4-Phenylenebisboronic acid?

The IUPAC name of 1,4-Phenylenebisboronic acid is (4-boronophenyl)boronic acid.

What is the InChI of 1,4-Phenylenebisboronic acid?

The InChI of 1,4-Phenylenebisboronic acid is InChI=1S/C6H8B2O4/c9-7(10)5-1-2-6(4-3-5)8(11)12/h1-4,9-12H.

What is the InChIKey of 1,4-Phenylenebisboronic acid?

The InChIKey of 1,4-Phenylenebisboronic acid is BODYVHJTUHHINQ-UHFFFAOYSA-N.

What is the canonical SMILES of 1,4-Phenylenebisboronic acid?

The canonical SMILES of 1,4-Phenylenebisboronic acid is B(C1=CC=C(C=C1)B(O)O)(O)O.

What is the CAS number of 1,4-Phenylenebisboronic acid?

The CAS number of 1,4-Phenylenebisboronic acid is 4612-26-4.

What is the European Community (EC) number of 1,4-Phenylenebisboronic acid?

The European Community (EC) number of 1,4-Phenylenebisboronic acid is 628-888-0.

What is the ChEMBL ID of 1,4-Phenylenebisboronic acid?

The ChEMBL ID of 1,4-Phenylenebisboronic acid is CHEMBL140916.

Is 1,4-Phenylenebisboronic acid a canonicalized compound?

Yes, 1,4-Phenylenebisboronic acid is a canonicalized compound.