Salicylic acid, chloroacetate
TL;DR: Salicylic acid, chloroacetate (CAS 6090-79-5) is a chemical compound with molecular formula C9H7ClO4 and molecular weight 214.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-chloroacetyl)oxybenzoic acid
Also Known As: Salicylic acid, chloroacetate, O-Chloroacetylsalicylic acid, 2-(2-chloroacetoxy)benzoic acid, 2-(2-chloroacetyl)oxybenzoic acid, O-(Chloroacetyl)salicylic acid
| Molecular Formula | C9H7ClO4 |
|---|---|
| Molecular Weight | 214.00 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 214.00328 |
| Heavy Atoms | 14 |
| Complexity | 229.0 |
Chemical Identifiers
| CAS Number | 6090-79-5 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(=O)O)OC(=O)CCl |
| InChIKey | LAZUHOPLTJOKNS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Salicylic acid, chloroacetate (CAS 6090-79-5), with molecular formula C9H7ClO4 and molecular weight 214.00 g/mol. IUPAC: 2-(2-chloroacetyl)oxybenzoic acid.
Chemical Property Profile of Salicylic acid, chloroacetate
Property Insights of Salicylic acid, chloroacetate
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Salicylic acid, chloroacetate. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Salicylic acid, chloroacetate. Following Lipinski's Rule of Five, Salicylic acid, chloroacetate 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 Salicylic acid, chloroacetate?
The CAS number of Salicylic acid, chloroacetate is 6090-79-5.
What is the molecular formula of Salicylic acid, chloroacetate?
The molecular formula of Salicylic acid, chloroacetate is C9H7ClO4.
What is the molecular weight of Salicylic acid, chloroacetate?
The molecular weight of Salicylic acid, chloroacetate is 214.00 g/mol.
Where can I buy Salicylic acid, chloroacetate?
You can request a quote for Salicylic acid, chloroacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Salicylic acid, chloroacetate?
Yes, KEHONG BIO provides custom synthesis services for Salicylic acid, chloroacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.