(4-Nitrophenoxy)acetic acid
TL;DR: (4-Nitrophenoxy)acetic acid (CAS 1798-11-4) is a chemical compound with molecular formula C8H7NO5 and molecular weight 197.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-nitrophenoxy)acetic acid
Also Known As: 4-Nitrophenoxyacetic acid, 2-(4-Nitrophenoxy)acetic acid, (4-Nitrophenoxy)acetic acid, p-Nitrophenoxyacetic acid, (4-Nitro-phenoxy)-acetic acid
| Molecular Formula | C8H7NO5 |
|---|---|
| Molecular Weight | 197.03 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 92.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 197.03242 |
| Heavy Atoms | 14 |
| Complexity | 216.0 |
Chemical Identifiers
| CAS Number | 1798-11-4 |
|---|---|
| SMILES | C1=CC(=CC=C1[N+](=O)[O-])OCC(=O)O |
| InChIKey | AVDLFIONKHGQAP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(4-Nitrophenoxy)acetic acid (CAS 1798-11-4), with molecular formula C8H7NO5 and molecular weight 197.03 g/mol. IUPAC: 2-(4-nitrophenoxy)acetic acid.
Chemical Property Profile of (4-Nitrophenoxy)acetic acid
Property Insights of (4-Nitrophenoxy)acetic acid
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (4-Nitrophenoxy)acetic acid. The TPSA of 92.4 Ų falls within the moderate polarity range, balancing permeability and solubility for (4-Nitrophenoxy)acetic acid. Following Lipinski's Rule of Five, (4-Nitrophenoxy)acetic 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 (4-Nitrophenoxy)acetic acid?
The CAS number of (4-Nitrophenoxy)acetic acid is 1798-11-4.
What is the molecular formula of (4-Nitrophenoxy)acetic acid?
The molecular formula of (4-Nitrophenoxy)acetic acid is C8H7NO5.
What is the molecular weight of (4-Nitrophenoxy)acetic acid?
The molecular weight of (4-Nitrophenoxy)acetic acid is 197.03 g/mol.
Where can I buy (4-Nitrophenoxy)acetic acid?
You can request a quote for (4-Nitrophenoxy)acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4-Nitrophenoxy)acetic acid?
Yes, KEHONG BIO provides custom synthesis services for (4-Nitrophenoxy)acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.