3-Nitrophenoxyacetonitrile
TL;DR: 3-Nitrophenoxyacetonitrile (CAS 19157-84-7) is a chemical compound with molecular formula C8H6N2O3 and molecular weight 178.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-nitrophenoxy)acetonitrile
Also Known As: 3-nitrophenoxyacetonitrile, 2-(3-nitrophenoxy)acetonitrile, (3-Nitrophenoxy)acetonitrile, (3-Nitro-phenoxy)-acetonitrile, m-nitrophenoxyacetonitrile
| Molecular Formula | C8H6N2O3 |
|---|---|
| Molecular Weight | 178.04 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 78.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 178.03784 |
| Heavy Atoms | 13 |
| Complexity | 227.0 |
Chemical Identifiers
| CAS Number | 19157-84-7 |
|---|---|
| SMILES | C1=CC(=CC(=C1)OCC#N)[N+](=O)[O-] |
| InChIKey | LYQBVFQJMRSUKH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Nitrophenoxyacetonitrile (CAS 19157-84-7), with molecular formula C8H6N2O3 and molecular weight 178.04 g/mol. IUPAC: 2-(3-nitrophenoxy)acetonitrile.
Chemical Property Profile of 3-Nitrophenoxyacetonitrile
Property Insights of 3-Nitrophenoxyacetonitrile
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Nitrophenoxyacetonitrile. The TPSA of 78.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Nitrophenoxyacetonitrile. Following Lipinski's Rule of Five, 3-Nitrophenoxyacetonitrile 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 3-Nitrophenoxyacetonitrile?
The CAS number of 3-Nitrophenoxyacetonitrile is 19157-84-7.
What is the molecular formula of 3-Nitrophenoxyacetonitrile?
The molecular formula of 3-Nitrophenoxyacetonitrile is C8H6N2O3.
What is the molecular weight of 3-Nitrophenoxyacetonitrile?
The molecular weight of 3-Nitrophenoxyacetonitrile is 178.04 g/mol.
Where can I buy 3-Nitrophenoxyacetonitrile?
You can request a quote for 3-Nitrophenoxyacetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Nitrophenoxyacetonitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-Nitrophenoxyacetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.