4-Tolylboronic acid

• Catalog Number: ACM5720058
• Product Name: 4-Tolylboronic acid
• CAS: 5720-05-8
• Category: Heterocyclic Organic Compound
• Synonyms: AKOS BRN-0019;4-TOLYLBORONIC ACID;4-TOLYBORONIC ACID;4-METHYLBENZENEBORONIC ACID;4-METHYLPHENYLBORIC ACID;4-METHYLPHENYLBORONIC ACID;P-METHYLPHENYLBORONIC ACID;P-TOLYLBORONIC ACID
• IUPAC Name: (4-methylphenyl)boronic acid
• Molecular Weight: 135.96g/mol
• Molecular Formula: C7H9BO2;C7H9BO2
• Canonical SMILES: B(C1=CC=C(C=C1)C)(O)O
• InChI: InChI=1S/C7H9BO2/c1-6-2-4-7(5-3-6)8(9)10/h2-5,9-10H,1H3
• InChI Key: BIWQNIMLAISTBV-UHFFFAOYSA-N
• Complexity: 97.8
• Covalently-Bonded Unit Count: 1
• Exact Mass: 136.06956g/mol
• Formal Charge: 0
• H-Bond Acceptor: 2
• H-Bond Donor: 2
• Heavy Atom Count: 10
• Monoisotopic Mass: 136.06956g/mol
• NSC Number: 62870
• Rotatable Bond Count: 1
• UNII: YJM4GM7K66

Custom Q&A

What is the molecular formula of 4-Tolylboronic acid?

The molecular formula of 4-Tolylboronic acid is C7H9BO2.

What is the molecular weight of 4-Tolylboronic acid?

The molecular weight of 4-Tolylboronic acid is 135.96 g/mol.

What is the IUPAC name of 4-Tolylboronic acid?

The IUPAC name of 4-Tolylboronic acid is (4-methylphenyl)boronic acid.

What is the InChI code of 4-Tolylboronic acid?

The InChI code of 4-Tolylboronic acid is InChI=1S/C7H9BO2/c1-6-2-4-7(5-3-6)8(9)10/h2-5,9-10H,1H3.

What is the InChIKey of 4-Tolylboronic acid?

The InChIKey of 4-Tolylboronic acid is BIWQNIMLAISTBV-UHFFFAOYSA-N.

What is the canonical SMILES representation of 4-Tolylboronic acid?

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

What is the CAS number of 4-Tolylboronic acid?

The CAS number of 4-Tolylboronic acid is 5720-05-8.

What is the UNII of 4-Tolylboronic acid?

The UNII of 4-Tolylboronic acid is YJM4GM7K66.

What is the ChEMBL ID of 4-Tolylboronic acid?

The ChEMBL ID of 4-Tolylboronic acid is CHEMBL140780.

Is 4-Tolylboronic acid a canonicalized compound?

Yes, 4-Tolylboronic acid is a canonicalized compound.