3-(Chlorodifluoromethoxy)benzoic acid
TL;DR: 3-(Chlorodifluoromethoxy)benzoic acid (CAS 959249-99-1) is a chemical compound with molecular formula C8H5ClF2O3 and molecular weight 221.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[chloro(difluoro)methoxy]benzoic acid
Also Known As: 3-(Chlorodifluoromethoxy)benzoic acid, m-Difluorochloromethoxybenzoic acid, 3-[Chloro(difluoro)methoxy]benzoic acid, 3-[Chloro(difluoro)methoxy]benzoic acid #
| Molecular Formula | C8H5ClF2O3 |
|---|---|
| Molecular Weight | 221.99 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 221.98953 |
| Heavy Atoms | 14 |
| Complexity | 223.0 |
Chemical Identifiers
| CAS Number | 959249-99-1 |
|---|---|
| SMILES | C1=CC(=CC(=C1)OC(F)(F)Cl)C(=O)O |
| InChIKey | MLHFIEFNBOSELY-UHFFFAOYSA-N |
Product Overview
3-(Chlorodifluoromethoxy)benzoic acid (CAS 959249-99-1), with molecular formula C8H5ClF2O3 and molecular weight 221.99 g/mol. IUPAC: 3-[chloro(difluoro)methoxy]benzoic acid.
Chemical Property Profile of 3-(Chlorodifluoromethoxy)benzoic acid
Property Insights of 3-(Chlorodifluoromethoxy)benzoic acid
The XLogP value of 3.5 indicates that 3-(Chlorodifluoromethoxy)benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.5 Ų, 3-(Chlorodifluoromethoxy)benzoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(Chlorodifluoromethoxy)benzoic acid has 1 hydrogen bond donor(s) and 5 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-(Chlorodifluoromethoxy)benzoic acid?
The CAS number of 3-(Chlorodifluoromethoxy)benzoic acid is 959249-99-1.
What is the molecular formula of 3-(Chlorodifluoromethoxy)benzoic acid?
The molecular formula of 3-(Chlorodifluoromethoxy)benzoic acid is C8H5ClF2O3.
What is the molecular weight of 3-(Chlorodifluoromethoxy)benzoic acid?
The molecular weight of 3-(Chlorodifluoromethoxy)benzoic acid is 221.99 g/mol.
Where can I buy 3-(Chlorodifluoromethoxy)benzoic acid?
You can request a quote for 3-(Chlorodifluoromethoxy)benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Chlorodifluoromethoxy)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(Chlorodifluoromethoxy)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.