Chlorodifluoroacetic acid
TL;DR: Chlorodifluoroacetic acid (CAS 76-04-0) is a chemical compound with molecular formula C2HClF2O2 and molecular weight 129.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-2,2-difluoroacetic acid
Also Known As: Chlorodifluoroacetic acid, Acetic acid, chlorodifluoro-, 2-chloro-2,2-difluoroacetic acid, difluorochloroacetic acid, C2HClF2O2
| Molecular Formula | C2HClF2O2 |
|---|---|
| Molecular Weight | 129.96 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 129.96332 |
| Heavy Atoms | 7 |
| Complexity | 91.0 |
Chemical Identifiers
| CAS Number | 76-04-0 |
|---|---|
| SMILES | C(=O)(C(F)(F)Cl)O |
| InChIKey | OAWAZQITIZDJRB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 18 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Chlorodifluoroacetic acid (CAS 76-04-0), with molecular formula C2HClF2O2 and molecular weight 129.96 g/mol. IUPAC: 2-chloro-2,2-difluoroacetic acid.
Chemical Property Profile of Chlorodifluoroacetic acid
Property Insights of Chlorodifluoroacetic acid
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Chlorodifluoroacetic acid. With a topological polar surface area (TPSA) of 37.3 Ų, Chlorodifluoroacetic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Chlorodifluoroacetic acid has 1 hydrogen bond donor(s) and 4 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 Chlorodifluoroacetic acid?
The CAS number of Chlorodifluoroacetic acid is 76-04-0.
What is the molecular formula of Chlorodifluoroacetic acid?
The molecular formula of Chlorodifluoroacetic acid is C2HClF2O2.
What is the molecular weight of Chlorodifluoroacetic acid?
The molecular weight of Chlorodifluoroacetic acid is 129.96 g/mol.
Where can I buy Chlorodifluoroacetic acid?
You can request a quote for Chlorodifluoroacetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Chlorodifluoroacetic acid?
Yes, KEHONG BIO provides custom synthesis services for Chlorodifluoroacetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.