3-Chloro-4-methylphenylboronic acid

• CAS: 175883-63-3
• Catalog Number: ACM175883633
• Category: Boronic Acids
• Molecular Weight: 170.4g/mol
• Molecular Formula: C7H8BClO2
• Synonyms: 3-CHLORO-4-METHYLPHENYLBORONIC ACID;3-CHLORO-4-METHYLBENZENEBORONIC ACID;AKOS BRN-0174;3-Chloro-4-Methylphenylboronic;3-CHLORO-4-METHYLPHENYLBORONIC ACID 96%;3-Chloro-4-methylboronic acid;3-Chloro-p-tolylboronic acid;3-Chloro-4-methylphenylboronic acid ,9
• IUPAC Name: (3-chloro-4-methylphenyl)boronic acid
• Canonical SMILES: B(C1=CC(=C(C=C1)C)Cl)(O)O
• InChI: InChI=1S/C7H8BClO2/c1-5-2-3-6(8(10)11)4-7(5)9/h2-4,10-11H,1H3
• InChI Key: YTJUYWRCAZWVSX-UHFFFAOYSA-N
• Complexity: 132
• Covalently-Bonded Unit Count: 1
• Exact Mass: 170.030587g/mol
• Formal Charge: 0
• H-Bond Acceptor: 2
• H-Bond Donor: 2
• Heavy Atom Count: 11
• Monoisotopic Mass: 170.030587g/mol
• Rotatable Bond Count: 1

Custom Q&A

What is the molecular formula of 3-Chloro-4-methylphenylboronic acid?

The molecular formula is C7H8BClO2.

What is the molecular weight of 3-Chloro-4-methylphenylboronic acid?

The molecular weight is 170.40 g/mol.

What is the IUPAC name of 3-Chloro-4-methylphenylboronic acid?

The IUPAC name is (3-chloro-4-methylphenyl)boronic acid.

What is the InChI of 3-Chloro-4-methylphenylboronic acid?

The InChI is InChI=1S/C7H8BClO2/c1-5-2-3-6(8(10)11)4-7(5)9/h2-4,10-11H,1H3.

What is the InChIKey of 3-Chloro-4-methylphenylboronic acid?

The InChIKey is YTJUYWRCAZWVSX-UHFFFAOYSA-N.

What is the canonical SMILES of 3-Chloro-4-methylphenylboronic acid?

The canonical SMILES is B(C1=CC(=C(C=C1)C)Cl)(O)O.

What is the CAS number of 3-Chloro-4-methylphenylboronic acid?

The CAS number is 175883-63-3.

What is the EC number of 3-Chloro-4-methylphenylboronic acid?

The EC number is 681-594-4.

What is the ChEMBL ID of 3-Chloro-4-methylphenylboronic acid?

The ChEMBL ID is CHEMBL4540708.

Is 3-Chloro-4-methylphenylboronic acid a canonicalized compound?

Yes, it is a canonicalized compound.