4-Chloro-2-nitrobenzeneacetic acid
TL;DR: 4-Chloro-2-nitrobenzeneacetic acid (CAS 38052-89-0) is a chemical compound with molecular formula C8H6ClNO4 and molecular weight 215.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-chloro-2-nitrophenyl)acetic acid
Also Known As: 4-Chloro-2-nitrophenylacetic acid, 2-(4-chloro-2-nitrophenyl)acetic acid, (4-chloro-2-nitrophenyl)acetic acid, Ziprasidone Impurity 13, (4-Chloro-2-nitro-phenyl)-acetic acid
| Molecular Formula | C8H6ClNO4 |
|---|---|
| Molecular Weight | 215.00 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 83.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 214.99854 |
| Heavy Atoms | 14 |
| Complexity | 240.0 |
Chemical Identifiers
| CAS Number | 38052-89-0 |
|---|---|
| SMILES | C1=CC(=C(C=C1Cl)[N+](=O)[O-])CC(=O)O |
| InChIKey | FLZUSUKBKOZJLG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Chloro-2-nitrobenzeneacetic acid (CAS 38052-89-0), with molecular formula C8H6ClNO4 and molecular weight 215.00 g/mol. IUPAC: 2-(4-chloro-2-nitrophenyl)acetic acid.
Chemical Property Profile of 4-Chloro-2-nitrobenzeneacetic acid
Property Insights of 4-Chloro-2-nitrobenzeneacetic acid
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Chloro-2-nitrobenzeneacetic acid. The TPSA of 83.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Chloro-2-nitrobenzeneacetic acid. Following Lipinski's Rule of Five, 4-Chloro-2-nitrobenzeneacetic acid 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 4-Chloro-2-nitrobenzeneacetic acid?
The CAS number of 4-Chloro-2-nitrobenzeneacetic acid is 38052-89-0.
What is the molecular formula of 4-Chloro-2-nitrobenzeneacetic acid?
The molecular formula of 4-Chloro-2-nitrobenzeneacetic acid is C8H6ClNO4.
What is the molecular weight of 4-Chloro-2-nitrobenzeneacetic acid?
The molecular weight of 4-Chloro-2-nitrobenzeneacetic acid is 215.00 g/mol.
Where can I buy 4-Chloro-2-nitrobenzeneacetic acid?
You can request a quote for 4-Chloro-2-nitrobenzeneacetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Chloro-2-nitrobenzeneacetic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-Chloro-2-nitrobenzeneacetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.