2,4,6-Trimethylphenylboronic acid

• CAS: 5980-97-2
• Catalog Number: ACM5980972
• Category: Boronic Acids
• Molecular Weight: 164.01g/mol
• Molecular Formula: C9H13BO2
• Synonyms: 2,4,6-TRIMETHYLBENZENEBORONIC ACID;2,4,6-TRIMETHYLPHENYLBORONIC ACID;2-MESITYLENEBORONIC ACID;AKOS BRN-0050;MESITYLBORONIC ACID;RARECHEM AH PB 0155;Mesitylboronic acid~2,4,6-Trimethylphenylboronic acid;2,4,6-TRIMETHYLBORONIC ACID
• IUPAC Name: (2,4,6-trimethylphenyl)boronic acid
• Canonical SMILES: B(C1=C(C=C(C=C1C)C)C)(O)O
• InChI: InChI=1S/C9H13BO2/c1-6-4-7(2)9(10(11)12)8(3)5-6/h4-5,11-12H,1-3H3
• InChI Key: BZXQRXJJJUZZAJ-UHFFFAOYSA-N
• Complexity: 138
• Covalently-Bonded Unit Count: 1
• Exact Mass: 164.10086g/mol
• Formal Charge: 0
• H-Bond Acceptor: 2
• H-Bond Donor: 2
• Heavy Atom Count: 12
• Monoisotopic Mass: 164.10086g/mol
• NSC Number: 157832
• Rotatable Bond Count: 1

Custom Q&A

What is the molecular formula of 2,4,6-Trimethylphenylboronic acid?

The molecular formula of 2,4,6-Trimethylphenylboronic acid is C9H13BO2.

What is the molecular weight of 2,4,6-Trimethylphenylboronic acid?

The molecular weight of 2,4,6-Trimethylphenylboronic acid is 164.01 g/mol.

What is the IUPAC name of 2,4,6-Trimethylphenylboronic acid?

The IUPAC name of 2,4,6-Trimethylphenylboronic acid is (2,4,6-trimethylphenyl)boronic acid.

What is the InChI of 2,4,6-Trimethylphenylboronic acid?

The InChI of 2,4,6-Trimethylphenylboronic acid is InChI=1S/C9H13BO2/c1-6-4-7(2)9(10(11)12)8(3)5-6/h4-5,11-12H,1-3H3.

What is the InChIKey of 2,4,6-Trimethylphenylboronic acid?

The InChIKey of 2,4,6-Trimethylphenylboronic acid is BZXQRXJJJUZZAJ-UHFFFAOYSA-N.

What is the canonical SMILES of 2,4,6-Trimethylphenylboronic acid?

The canonical SMILES of 2,4,6-Trimethylphenylboronic acid is B(C1=C(C=C(C=C1C)C)C)(O)O.

What is the CAS number of 2,4,6-Trimethylphenylboronic acid?

The CAS number of 2,4,6-Trimethylphenylboronic acid is 5980-97-2.

What is the hydrogen bond donor count of 2,4,6-Trimethylphenylboronic acid?

The hydrogen bond donor count of 2,4,6-Trimethylphenylboronic acid is 2.

What is the hydrogen bond acceptor count of 2,4,6-Trimethylphenylboronic acid?

The hydrogen bond acceptor count of 2,4,6-Trimethylphenylboronic acid is 2.

What is the rotatable bond count of 2,4,6-Trimethylphenylboronic acid?

The rotatable bond count of 2,4,6-Trimethylphenylboronic acid is 1.