3-Chloro-2,6-difluorobenzoic acid
TL;DR: 3-Chloro-2,6-difluorobenzoic acid (CAS 6401-00-9) is a chemical compound with molecular formula C7H3ClF2O2 and molecular weight 191.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-2,6-difluorobenzoic acid
Also Known As: 3-chloro-2,6-difluorobenzoic acid, 2,6-Difluoro-3-chlorobenzoic acid, RARECHEM AL BE 0491, Benzoic acid, 3-chloro-2,6-difluoro-, 2,6-difluouo-3-chlorobenzoic acid
| Molecular Formula | C7H3ClF2O2 |
|---|---|
| Molecular Weight | 191.98 g/mol |
| LogP | 2.3164 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 191.97896 |
| Heavy Atoms | 12 |
| Complexity | 338.4234 |
Chemical Identifiers
| CAS Number | 6401-00-9 |
|---|---|
| SMILES | C1=CC(=C(C(=C1F)C(=O)O)F)Cl |
Product Overview
3-Chloro-2,6-difluorobenzoic acid (CAS 6401-00-9), with molecular formula C7H3ClF2O2 and molecular weight 191.98 g/mol. IUPAC: 3-chloro-2,6-difluorobenzoic acid.
Chemical Property Profile of 3-Chloro-2,6-difluorobenzoic acid
Property Insights of 3-Chloro-2,6-difluorobenzoic acid
The XLogP value of 2.3164 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Chloro-2,6-difluorobenzoic acid. With a topological polar surface area (TPSA) of 37.3 Ų, 3-Chloro-2,6-difluorobenzoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Chloro-2,6-difluorobenzoic 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 3-Chloro-2,6-difluorobenzoic acid?
The CAS number of 3-Chloro-2,6-difluorobenzoic acid is 6401-00-9.
What is the molecular formula of 3-Chloro-2,6-difluorobenzoic acid?
The molecular formula of 3-Chloro-2,6-difluorobenzoic acid is C7H3ClF2O2.
What is the molecular weight of 3-Chloro-2,6-difluorobenzoic acid?
The molecular weight of 3-Chloro-2,6-difluorobenzoic acid is 191.98 g/mol.
Where can I buy 3-Chloro-2,6-difluorobenzoic acid?
You can request a quote for 3-Chloro-2,6-difluorobenzoic 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-2,6-difluorobenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-Chloro-2,6-difluorobenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.