3-Chlorophenoxyacetic acid
TL;DR: 3-Chlorophenoxyacetic acid (CAS 588-32-9) 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-(3-chlorophenoxy)acetic acid
Also Known As: 3-CHLOROPHENOXYACETIC ACID, 2-(3-chlorophenoxy)acetic acid, (3-chlorophenoxy)acetic acid, m-Chlorophenoxyacetic acid, (3-Chloro-phenoxy)-acetic acid
| Molecular Formula | C8H7ClO3 |
|---|---|
| Molecular Weight | 186.01 g/mol |
| LogP | 2.0 |
| 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 | 110 °C |
| Solubility | Slightly soluble in chloroform. Soluble in ethanol and ether. Very soluble in benzene |
| Vapor Pressure | 0.000318 [mmHg] |
Chemical Identifiers
| CAS Number | 588-32-9 |
|---|---|
| SMILES | C1=CC(=CC(=C1)Cl)OCC(=O)O |
| InChIKey | XSBUXVWJQVTYLC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Chlorophenoxyacetic acid (CAS 588-32-9), with molecular formula C8H7ClO3 and molecular weight 186.01 g/mol. IUPAC: 2-(3-chlorophenoxy)acetic acid.
Chemical Property Profile of 3-Chlorophenoxyacetic acid
Property Insights of 3-Chlorophenoxyacetic acid
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Chlorophenoxyacetic acid. With a topological polar surface area (TPSA) of 46.5 Ų, 3-Chlorophenoxyacetic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-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 3-Chlorophenoxyacetic acid?
The CAS number of 3-Chlorophenoxyacetic acid is 588-32-9.
What is the molecular formula of 3-Chlorophenoxyacetic acid?
The molecular formula of 3-Chlorophenoxyacetic acid is C8H7ClO3.
What is the molecular weight of 3-Chlorophenoxyacetic acid?
The molecular weight of 3-Chlorophenoxyacetic acid is 186.01 g/mol.
Where can I buy 3-Chlorophenoxyacetic acid?
You can request a quote for 3-Chlorophenoxyacetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Chlorophenoxyacetic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-Chlorophenoxyacetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.