3-(2-Chloro-6-nitrophenoxy)benzoic acid
TL;DR: 3-(2-Chloro-6-nitrophenoxy)benzoic acid (CAS 27237-27-0) is a chemical compound with molecular formula C13H8ClNO5 and molecular weight 293.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-chloro-6-nitrophenoxy)benzoic acid
Also Known As: 3-(2-chloro-6-nitrophenoxy)benzoic acid, 3-(6-chloro-2-nitrophenoxy)benzoic acid, 3-(2-chloro-6-nitro-phenoxy)benzoic Acid
| Molecular Formula | C13H8ClNO5 |
|---|---|
| Molecular Weight | 293.01 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 92.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 293.0091 |
| Heavy Atoms | 20 |
| Complexity | 372.0 |
Chemical Identifiers
| CAS Number | 27237-27-0 |
|---|---|
| SMILES | C1=CC(=CC(=C1)OC2=C(C=CC=C2Cl)[N+](=O)[O-])C(=O)O |
| InChIKey | YPYVWYFTYCWRKJ-UHFFFAOYSA-N |
Product Overview
3-(2-Chloro-6-nitrophenoxy)benzoic acid (CAS 27237-27-0), with molecular formula C13H8ClNO5 and molecular weight 293.01 g/mol. IUPAC: 3-(2-chloro-6-nitrophenoxy)benzoic acid.
Chemical Property Profile of 3-(2-Chloro-6-nitrophenoxy)benzoic acid
Property Insights of 3-(2-Chloro-6-nitrophenoxy)benzoic acid
The XLogP value of 3.4 indicates that 3-(2-Chloro-6-nitrophenoxy)benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(2-Chloro-6-nitrophenoxy)benzoic acid. Following Lipinski's Rule of Five, 3-(2-Chloro-6-nitrophenoxy)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-(2-Chloro-6-nitrophenoxy)benzoic acid?
The CAS number of 3-(2-Chloro-6-nitrophenoxy)benzoic acid is 27237-27-0.
What is the molecular formula of 3-(2-Chloro-6-nitrophenoxy)benzoic acid?
The molecular formula of 3-(2-Chloro-6-nitrophenoxy)benzoic acid is C13H8ClNO5.
What is the molecular weight of 3-(2-Chloro-6-nitrophenoxy)benzoic acid?
The molecular weight of 3-(2-Chloro-6-nitrophenoxy)benzoic acid is 293.01 g/mol.
Where can I buy 3-(2-Chloro-6-nitrophenoxy)benzoic acid?
You can request a quote for 3-(2-Chloro-6-nitrophenoxy)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-(2-Chloro-6-nitrophenoxy)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(2-Chloro-6-nitrophenoxy)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.