3-Bromo-2-chloro-4,5-difluorobenzoic acid
TL;DR: 3-Bromo-2-chloro-4,5-difluorobenzoic acid (CAS 112062-69-8) is a chemical compound with molecular formula C7H2BrClF2O2 and molecular weight 269.89 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-bromo-2-chloro-4,5-difluorobenzoic acid
Also Known As: 3-Bromo-2-chloro-4,5-difluorobenzoic acid, 3-bromo-2-chloro-4,5-difluoro-benzoic Acid, Benzoic acid,2,3-dichloro-4,5-difluoro, 3-Bromo-2-chloro-4,5-difluorobenzoicacid, Benzoic acid, 3-bromo-2-chloro-4,5-difluoro-
| Molecular Formula | C7H2BrClF2O2 |
|---|---|
| Molecular Weight | 269.89 g/mol |
| LogP | 3.0789 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 269.88947 |
| Heavy Atoms | 13 |
| Complexity | 381.24554 |
Chemical Identifiers
| CAS Number | 112062-69-8 |
|---|---|
| SMILES | C1=C(C(=C(C(=C1F)F)Br)Cl)C(=O)O |
Product Overview
3-Bromo-2-chloro-4,5-difluorobenzoic acid (CAS 112062-69-8), with molecular formula C7H2BrClF2O2 and molecular weight 269.89 g/mol. IUPAC: 3-bromo-2-chloro-4,5-difluorobenzoic acid.
Chemical Property Profile of 3-Bromo-2-chloro-4,5-difluorobenzoic acid
Property Insights of 3-Bromo-2-chloro-4,5-difluorobenzoic acid
The XLogP value of 3.0789 indicates that 3-Bromo-2-chloro-4,5-difluorobenzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.3 Ų, 3-Bromo-2-chloro-4,5-difluorobenzoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Bromo-2-chloro-4,5-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-Bromo-2-chloro-4,5-difluorobenzoic acid?
The CAS number of 3-Bromo-2-chloro-4,5-difluorobenzoic acid is 112062-69-8.
What is the molecular formula of 3-Bromo-2-chloro-4,5-difluorobenzoic acid?
The molecular formula of 3-Bromo-2-chloro-4,5-difluorobenzoic acid is C7H2BrClF2O2.
What is the molecular weight of 3-Bromo-2-chloro-4,5-difluorobenzoic acid?
The molecular weight of 3-Bromo-2-chloro-4,5-difluorobenzoic acid is 269.89 g/mol.
Where can I buy 3-Bromo-2-chloro-4,5-difluorobenzoic acid?
You can request a quote for 3-Bromo-2-chloro-4,5-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-Bromo-2-chloro-4,5-difluorobenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-Bromo-2-chloro-4,5-difluorobenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.