2-(2-Methoxy-6-nitrophenyl)acetonitrile
TL;DR: 2-(2-Methoxy-6-nitrophenyl)acetonitrile (CAS 20876-27-1) is a chemical compound with molecular formula C9H8N2O3 and molecular weight 192.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-methoxy-6-nitrophenyl)acetonitrile
Also Known As: 2-(2-methoxy-6-nitrophenyl)acetonitrile, (2-Methoxy-6-nitrophenyl)acetonitrile, 2-Methoxy-6-nitrophenylacetonitrile, Benzeneacetonitrile, 2-methoxy-6-nitro-, 2-(2-methoxy-6-nitro-phenyl)acetonitrile
| Molecular Formula | C9H8N2O3 |
|---|---|
| Molecular Weight | 192.05 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 78.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 192.0535 |
| Heavy Atoms | 14 |
| Complexity | 253.0 |
Chemical Identifiers
| CAS Number | 20876-27-1 |
|---|---|
| SMILES | COC1=CC=CC(=C1CC#N)[N+](=O)[O-] |
| InChIKey | ULYNKRWNPIYQCQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(2-Methoxy-6-nitrophenyl)acetonitrile (CAS 20876-27-1), with molecular formula C9H8N2O3 and molecular weight 192.05 g/mol. IUPAC: 2-(2-methoxy-6-nitrophenyl)acetonitrile.
Chemical Property Profile of 2-(2-Methoxy-6-nitrophenyl)acetonitrile
Property Insights of 2-(2-Methoxy-6-nitrophenyl)acetonitrile
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(2-Methoxy-6-nitrophenyl)acetonitrile. The TPSA of 78.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(2-Methoxy-6-nitrophenyl)acetonitrile. Following Lipinski's Rule of Five, 2-(2-Methoxy-6-nitrophenyl)acetonitrile has 0 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 2-(2-Methoxy-6-nitrophenyl)acetonitrile?
The CAS number of 2-(2-Methoxy-6-nitrophenyl)acetonitrile is 20876-27-1.
What is the molecular formula of 2-(2-Methoxy-6-nitrophenyl)acetonitrile?
The molecular formula of 2-(2-Methoxy-6-nitrophenyl)acetonitrile is C9H8N2O3.
What is the molecular weight of 2-(2-Methoxy-6-nitrophenyl)acetonitrile?
The molecular weight of 2-(2-Methoxy-6-nitrophenyl)acetonitrile is 192.05 g/mol.
Where can I buy 2-(2-Methoxy-6-nitrophenyl)acetonitrile?
You can request a quote for 2-(2-Methoxy-6-nitrophenyl)acetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(2-Methoxy-6-nitrophenyl)acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(2-Methoxy-6-nitrophenyl)acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.