(3-Chloro-2-methylphenyl)boronic acid
TL;DR: (3-Chloro-2-methylphenyl)boronic acid (CAS 5211-03-0) is a chemical compound with molecular formula C7H8BClO2 and molecular weight 170.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-chloro-2-methylphenyl)boronic acid
Also Known As: (3-chloro-2-methylphenyl)boronic acid, 3-CHLORO-2-METHYLPHENYLBORONIC ACID, 2-Borono-6-chlorotoluene, 3-Chloro-2-methyl phenyl boronic acid, 3-CHLORO-2-METHYLPHENYBORONIC ACID
| Molecular Formula | C7H8BClO2 |
|---|---|
| Molecular Weight | 170.03 g/mol |
| LogP | 0.32822 |
| Topological Polar Surface Area | 40.46 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 170.0306 |
| Heavy Atoms | 11 |
| Complexity | 262.61752 |
Chemical Identifiers
| CAS Number | 5211-03-0 |
|---|---|
| SMILES | B(C1=C(C(=CC=C1)Cl)C)(O)O |
Product Overview
(3-Chloro-2-methylphenyl)boronic acid (CAS 5211-03-0), with molecular formula C7H8BClO2 and molecular weight 170.03 g/mol. IUPAC: (3-chloro-2-methylphenyl)boronic acid.
Chemical Property Profile of (3-Chloro-2-methylphenyl)boronic acid
Property Insights of (3-Chloro-2-methylphenyl)boronic acid
The XLogP value of 0.32822 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3-Chloro-2-methylphenyl)boronic acid. With a topological polar surface area (TPSA) of 40.46 Ų, (3-Chloro-2-methylphenyl)boronic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (3-Chloro-2-methylphenyl)boronic acid has 2 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (3-Chloro-2-methylphenyl)boronic acid?
The CAS number of (3-Chloro-2-methylphenyl)boronic acid is 5211-03-0.
What is the molecular formula of (3-Chloro-2-methylphenyl)boronic acid?
The molecular formula of (3-Chloro-2-methylphenyl)boronic acid is C7H8BClO2.
What is the molecular weight of (3-Chloro-2-methylphenyl)boronic acid?
The molecular weight of (3-Chloro-2-methylphenyl)boronic acid is 170.03 g/mol.
Where can I buy (3-Chloro-2-methylphenyl)boronic acid?
You can request a quote for (3-Chloro-2-methylphenyl)boronic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3-Chloro-2-methylphenyl)boronic acid?
Yes, KEHONG BIO provides custom synthesis services for (3-Chloro-2-methylphenyl)boronic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.