(3-硝基苯氧基)乙酸
TL;DR: (3-硝基苯氧基)乙酸 (CAS 1878-88-2) 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.
(3-硝基苯氧基)乙酸
2-(3-nitrophenoxy)acetic acid
Also Known As: 3-Nitrophenoxyacetic Acid, 2-(3-nitrophenoxy)acetic acid, (3-Nitrophenoxy)acetic acid, M-NITROPHENOXYACETIC ACID, Acetic acid, 2-(3-nitrophenoxy)-
| Molecular Formula | C8H7NO5 |
|---|---|
| Molecular Weight | 197.03 g/mol |
| LogP | 1.4 |
| 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 | 224.0 |
Chemical Identifiers
| CAS Number | 1878-88-2 |
|---|---|
| SMILES | C1=CC(=CC(=C1)OCC(=O)O)[N+](=O)[O-] |
| InChIKey | BNRRQAASFDGMMQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(3-硝基苯氧基)乙酸 (CAS 1878-88-2), with molecular formula C8H7NO5 and molecular weight 197.03 g/mol. IUPAC: 2-(3-nitrophenoxy)acetic acid.
Chemical Property Profile of (3-硝基苯氧基)乙酸
Property Insights of (3-硝基苯氧基)乙酸
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3-硝基苯氧基)乙酸. The TPSA of 92.4 Ų falls within the moderate polarity range, balancing permeability and solubility for (3-硝基苯氧基)乙酸. Following Lipinski's Rule of Five, (3-硝基苯氧基)乙酸 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 (3-硝基苯氧基)乙酸?
The CAS number of (3-硝基苯氧基)乙酸 is 1878-88-2.
What is the molecular formula of (3-硝基苯氧基)乙酸?
The molecular formula of (3-硝基苯氧基)乙酸 is C8H7NO5.
What is the molecular weight of (3-硝基苯氧基)乙酸?
The molecular weight of (3-硝基苯氧基)乙酸 is 197.03 g/mol.
Where can I buy (3-硝基苯氧基)乙酸?
You can request a quote for (3-硝基苯氧基)乙酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3-硝基苯氧基)乙酸?
Yes, KEHONG BIO provides custom synthesis services for (3-硝基苯氧基)乙酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.