2-Chlorophenoxyacetic acid
TL;DR: 2-Chlorophenoxyacetic acid (CAS 614-61-9) is a chemical compound with molecular formula C8H7ClO3 and molecular weight 186.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-chlorophenoxy)acetic acid
Also Known As: 2-CHLOROPHENOXYACETIC ACID, (2-Chlorophenoxy)acetic acid, 2-(2-chlorophenoxy)acetic acid, o-Chlorophenoxyacetic acid, Acetic acid, (chlorophenoxy)-
| Molecular Formula | C8H7ClO3 |
|---|---|
| Molecular Weight | 186.01 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 186.00838 |
| Heavy Atoms | 12 |
| Complexity | 160.0 |
| Melting Point | 148.5 °C |
| Solubility | In water, 1,280 mg/L at 25 °C |
| Vapor Pressure | 0.000318 [mmHg] |
Chemical Identifiers
| CAS Number | 614-61-9 |
|---|---|
| SMILES | C1=CC=C(C(=C1)OCC(=O)O)Cl |
| InChIKey | OPQYFNRLWBWCST-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Chlorophenoxyacetic acid (CAS 614-61-9), with molecular formula C8H7ClO3 and molecular weight 186.01 g/mol. IUPAC: 2-(2-chlorophenoxy)acetic acid.
Chemical Property Profile of 2-Chlorophenoxyacetic acid
Property Insights of 2-Chlorophenoxyacetic acid
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Chlorophenoxyacetic acid. With a topological polar surface area (TPSA) of 46.5 Ų, 2-Chlorophenoxyacetic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Chlorophenoxyacetic acid has 1 hydrogen bond donor(s) and 3 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 2-Chlorophenoxyacetic acid?
The CAS number of 2-Chlorophenoxyacetic acid is 614-61-9.
What is the molecular formula of 2-Chlorophenoxyacetic acid?
The molecular formula of 2-Chlorophenoxyacetic acid is C8H7ClO3.
What is the molecular weight of 2-Chlorophenoxyacetic acid?
The molecular weight of 2-Chlorophenoxyacetic acid is 186.01 g/mol.
Where can I buy 2-Chlorophenoxyacetic acid?
You can request a quote for 2-Chlorophenoxyacetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Chlorophenoxyacetic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-Chlorophenoxyacetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.