6-Chloro-2-fluoro-3-methylbenzoic acid
TL;DR: 6-Chloro-2-fluoro-3-methylbenzoic acid (CAS 4122-27-4) is a chemical compound with molecular formula C8H6ClFO2 and molecular weight 188.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-chloro-2-fluoro-3-methylbenzoic acid
Also Known As: 6-chloro-2-fluoro-3-methylbenzoic acid, RARECHEM AL BE 0496, 6-Chloro-2-fluoro-m-toluic acid, 6-chloro-2-fluoro-3-methyl-benzoic Acid, 6-CHLORO-2-FLUORO-3-METHYLBENZOICACID
| Molecular Formula | C8H6ClFO2 |
|---|---|
| Molecular Weight | 188.00 g/mol |
| LogP | 2.48572 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 188.00403 |
| Heavy Atoms | 12 |
| Complexity | 336.0749 |
Chemical Identifiers
| CAS Number | 4122-27-4 |
|---|---|
| SMILES | CC1=C(C(=C(C=C1)Cl)C(=O)O)F |
Product Overview
6-Chloro-2-fluoro-3-methylbenzoic acid (CAS 4122-27-4), with molecular formula C8H6ClFO2 and molecular weight 188.00 g/mol. IUPAC: 6-chloro-2-fluoro-3-methylbenzoic acid.
Chemical Property Profile of 6-Chloro-2-fluoro-3-methylbenzoic acid
Property Insights of 6-Chloro-2-fluoro-3-methylbenzoic acid
The XLogP value of 2.48572 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Chloro-2-fluoro-3-methylbenzoic acid. With a topological polar surface area (TPSA) of 37.3 Ų, 6-Chloro-2-fluoro-3-methylbenzoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-Chloro-2-fluoro-3-methylbenzoic acid has 1 hydrogen bond donor(s) and 1 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 6-Chloro-2-fluoro-3-methylbenzoic acid?
The CAS number of 6-Chloro-2-fluoro-3-methylbenzoic acid is 4122-27-4.
What is the molecular formula of 6-Chloro-2-fluoro-3-methylbenzoic acid?
The molecular formula of 6-Chloro-2-fluoro-3-methylbenzoic acid is C8H6ClFO2.
What is the molecular weight of 6-Chloro-2-fluoro-3-methylbenzoic acid?
The molecular weight of 6-Chloro-2-fluoro-3-methylbenzoic acid is 188.00 g/mol.
Where can I buy 6-Chloro-2-fluoro-3-methylbenzoic acid?
You can request a quote for 6-Chloro-2-fluoro-3-methylbenzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Chloro-2-fluoro-3-methylbenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 6-Chloro-2-fluoro-3-methylbenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.