5-Chloro-2-methylphenylboronic acid

• CAS: 148839-33-2
• Catalog Number: ACM148839332
• Category: Boronic Acids
• Molecular Weight: 170.4
• Molecular Formula: C₇H₈BClO₂
• Synonyms: 5-CHLORO-2-METHYLPHENYLBORONIC ACID;5-CHLORO-2-METHYLBENZENEBORONIC ACID;2-METHYL-5-CHLOROPHENYLBORONICACID;5-Chloro-2-methylphenyl boronic acid ,97%;5-CHLORO-2-METHYLPHE;5-Chloro-2-Methylphenylboronic Acid (contains varying aMounts of Anhydride);5-Chloro

Custom Q&A

What is the IUPAC name of the compound?

The IUPAC name of the compound is (5-chloro-2-methylphenyl)boronic acid.

What is the molecular formula of the compound?

The molecular formula of the compound is C7H8BClO2.

What is the molecular weight of the compound?

The molecular weight of the compound is 170.40 g/mol.

What is the InChI of the compound?

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

What is the InChIKey of the compound?

The InChIKey of the compound is QWTHTSAWMJFMOV-UHFFFAOYSA-N.

What is the canonical SMILES of the compound?

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

What is the CAS number of the compound?

The CAS number of the compound is 148839-33-2.

What is the EC number of the compound?

The EC number of the compound is 692-886-6.

What are the computed properties of the compound?

The computed properties of the compound include the molecular weight (170.40 g/mol), hydrogen bond donor count (2), hydrogen bond acceptor count (2), rotatable bond count (1), exact mass (170.0305874 g/mol), monoisotopic mass (170.0305874 g/mol), topological polar surface area (40.5Ų), heavy atom count (11), formal charge (0), complexity (132), isotope atom count (0), defined atom stereocenter count (0), undefined atom stereocenter count (0), defined bond stereocenter count (0), undefined bond stereocenter count (0), and covalently-bonded unit count (1).

Is the compound canonicalized?

Yes, the compound is canonicalized.