4-Chloro-2-(trifluoromethyl)phenylboronic Acid
TL;DR: 4-Chloro-2-(trifluoromethyl)phenylboronic Acid (CAS 254993-59-4) is a chemical compound with molecular formula C7H5BClF3O2 and molecular weight 224.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-chloro-2-(trifluoromethyl)phenyl]boronic acid
Also Known As: 4-Chloro-2-(trifluoromethyl)phenylboronic acid, 4-Chloro-2-trifluoromethylphenylboronic acid, [4-chloro-2-(trifluoromethyl)phenyl]boronic Acid, 4-Chloro-2-(trifluoromethyl)benzeneboronic acid, 2-Chloro-4-(trifluoromethyl)phenylboronic acid
| Molecular Formula | C7H5BClF3O2 |
|---|---|
| Molecular Weight | 224.00 g/mol |
| LogP | 1.0386 |
| Topological Polar Surface Area | 40.46 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 224.00232 |
| Heavy Atoms | 14 |
| Complexity | 340.19705 |
Chemical Identifiers
| CAS Number | 254993-59-4 |
|---|---|
| SMILES | B(C1=C(C=C(C=C1)Cl)C(F)(F)F)(O)O |
Product Overview
4-Chloro-2-(trifluoromethyl)phenylboronic Acid (CAS 254993-59-4), with molecular formula C7H5BClF3O2 and molecular weight 224.00 g/mol. IUPAC: [4-chloro-2-(trifluoromethyl)phenyl]boronic acid.
Chemical Property Profile of 4-Chloro-2-(trifluoromethyl)phenylboronic Acid
Property Insights of 4-Chloro-2-(trifluoromethyl)phenylboronic Acid
The XLogP value of 1.0386 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Chloro-2-(trifluoromethyl)phenylboronic Acid. With a topological polar surface area (TPSA) of 40.46 Ų, 4-Chloro-2-(trifluoromethyl)phenylboronic Acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Chloro-2-(trifluoromethyl)phenylboronic 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 4-Chloro-2-(trifluoromethyl)phenylboronic Acid?
The CAS number of 4-Chloro-2-(trifluoromethyl)phenylboronic Acid is 254993-59-4.
What is the molecular formula of 4-Chloro-2-(trifluoromethyl)phenylboronic Acid?
The molecular formula of 4-Chloro-2-(trifluoromethyl)phenylboronic Acid is C7H5BClF3O2.
What is the molecular weight of 4-Chloro-2-(trifluoromethyl)phenylboronic Acid?
The molecular weight of 4-Chloro-2-(trifluoromethyl)phenylboronic Acid is 224.00 g/mol.
Where can I buy 4-Chloro-2-(trifluoromethyl)phenylboronic Acid?
You can request a quote for 4-Chloro-2-(trifluoromethyl)phenylboronic Acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Chloro-2-(trifluoromethyl)phenylboronic Acid?
Yes, KEHONG BIO provides custom synthesis services for 4-Chloro-2-(trifluoromethyl)phenylboronic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.