2-Chloro-6-fluoro-3-methylphenylboronic acid
TL;DR: 2-Chloro-6-fluoro-3-methylphenylboronic acid (CAS 946683-85-8) is a chemical compound with molecular formula C7H7BClFO2 and molecular weight 188.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-chloro-6-fluoro-3-methylphenyl)boronic acid
Also Known As: 2-Chloro-6-fluoro-3-methylphenylboronic acid, (2-chloro-6-fluoro-3-methylphenyl)boronic acid, P-CHLOROPHENYLARSONICACID, 2-Chloro-3-methyl-6-fluorophenylboronic acid, 2-Chloro-6-fluoro-3-methylphenylboronicacid
| Molecular Formula | C7H7BClFO2 |
|---|---|
| Molecular Weight | 188.02 g/mol |
| LogP | 0.46732 |
| Topological Polar Surface Area | 40.46 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 188.02116 |
| Heavy Atoms | 12 |
| Complexity | 303.703 |
Chemical Identifiers
| CAS Number | 946683-85-8 |
|---|---|
| SMILES | B(C1=C(C=CC(=C1Cl)C)F)(O)O |
Product Overview
2-Chloro-6-fluoro-3-methylphenylboronic acid (CAS 946683-85-8), with molecular formula C7H7BClFO2 and molecular weight 188.02 g/mol. IUPAC: (2-chloro-6-fluoro-3-methylphenyl)boronic acid.
Chemical Property Profile of 2-Chloro-6-fluoro-3-methylphenylboronic acid
Property Insights of 2-Chloro-6-fluoro-3-methylphenylboronic acid
The XLogP value of 0.46732 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Chloro-6-fluoro-3-methylphenylboronic acid. With a topological polar surface area (TPSA) of 40.46 Ų, 2-Chloro-6-fluoro-3-methylphenylboronic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Chloro-6-fluoro-3-methylphenylboronic 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 2-Chloro-6-fluoro-3-methylphenylboronic acid?
The CAS number of 2-Chloro-6-fluoro-3-methylphenylboronic acid is 946683-85-8.
What is the molecular formula of 2-Chloro-6-fluoro-3-methylphenylboronic acid?
The molecular formula of 2-Chloro-6-fluoro-3-methylphenylboronic acid is C7H7BClFO2.
What is the molecular weight of 2-Chloro-6-fluoro-3-methylphenylboronic acid?
The molecular weight of 2-Chloro-6-fluoro-3-methylphenylboronic acid is 188.02 g/mol.
Where can I buy 2-Chloro-6-fluoro-3-methylphenylboronic acid?
You can request a quote for 2-Chloro-6-fluoro-3-methylphenylboronic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Chloro-6-fluoro-3-methylphenylboronic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloro-6-fluoro-3-methylphenylboronic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.