2-Chloro-6-fluorophenylboronic acid
TL;DR: 2-Chloro-6-fluorophenylboronic acid (CAS 313545-32-3) is a chemical compound with molecular formula C6H5BClFO2 and molecular weight 174.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-chloro-6-fluorophenyl)boronic acid
Also Known As: 2-Chloro-6-fluorophenylboronic acid, (2-chloro-6-fluorophenyl)boronic acid, 2-Chloro-6-fluorobenzeneboronic acid, (2-chloro-6-fluoro-phenyl)boronic Acid, 2-Chloro-6-fluorophenylboronicacid
| Molecular Formula | C6H5BClFO2 |
|---|---|
| Molecular Weight | 174.01 g/mol |
| LogP | 0.1589 |
| Topological Polar Surface Area | 40.46 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 174.00551 |
| Heavy Atoms | 11 |
| Complexity | 246.50923 |
Chemical Identifiers
| CAS Number | 313545-32-3 |
|---|---|
| SMILES | B(C1=C(C=CC=C1Cl)F)(O)O |
Product Overview
2-Chloro-6-fluorophenylboronic acid (CAS 313545-32-3), with molecular formula C6H5BClFO2 and molecular weight 174.01 g/mol. IUPAC: (2-chloro-6-fluorophenyl)boronic acid.
Chemical Property Profile of 2-Chloro-6-fluorophenylboronic acid
Property Insights of 2-Chloro-6-fluorophenylboronic acid
The XLogP value of 0.1589 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Chloro-6-fluorophenylboronic acid. With a topological polar surface area (TPSA) of 40.46 Ų, 2-Chloro-6-fluorophenylboronic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Chloro-6-fluorophenylboronic 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-fluorophenylboronic acid?
The CAS number of 2-Chloro-6-fluorophenylboronic acid is 313545-32-3.
What is the molecular formula of 2-Chloro-6-fluorophenylboronic acid?
The molecular formula of 2-Chloro-6-fluorophenylboronic acid is C6H5BClFO2.
What is the molecular weight of 2-Chloro-6-fluorophenylboronic acid?
The molecular weight of 2-Chloro-6-fluorophenylboronic acid is 174.01 g/mol.
Where can I buy 2-Chloro-6-fluorophenylboronic acid?
You can request a quote for 2-Chloro-6-fluorophenylboronic 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-fluorophenylboronic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloro-6-fluorophenylboronic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.