2-(2-Nitrophenyl)propanenitrile
TL;DR: 2-(2-Nitrophenyl)propanenitrile (CAS 65783-00-8) is a chemical compound with molecular formula C9H8N2O2 and molecular weight 176.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-nitrophenyl)propanenitrile
Also Known As: 2-(2-nitrophenyl)propanenitrile, 2-(2-nitrophenyl)propionitrile
| Molecular Formula | C9H8N2O2 |
|---|---|
| Molecular Weight | 176.06 g/mol |
| LogP | 2.22188 |
| Topological Polar Surface Area | 66.93 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 176.05858 |
| Heavy Atoms | 13 |
| Complexity | 368.12262 |
Chemical Identifiers
| CAS Number | 65783-00-8 |
|---|---|
| SMILES | CC(C#N)C1=CC=CC=C1[N+](=O)[O-] |
Product Overview
2-(2-Nitrophenyl)propanenitrile (CAS 65783-00-8), with molecular formula C9H8N2O2 and molecular weight 176.06 g/mol. IUPAC: 2-(2-nitrophenyl)propanenitrile.
Chemical Property Profile of 2-(2-Nitrophenyl)propanenitrile
Property Insights of 2-(2-Nitrophenyl)propanenitrile
The XLogP value of 2.22188 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(2-Nitrophenyl)propanenitrile. The TPSA of 66.93 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(2-Nitrophenyl)propanenitrile. Following Lipinski's Rule of Five, 2-(2-Nitrophenyl)propanenitrile has 0 hydrogen bond donor(s) and 3 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-Nitrophenyl)propanenitrile?
The CAS number of 2-(2-Nitrophenyl)propanenitrile is 65783-00-8.
What is the molecular formula of 2-(2-Nitrophenyl)propanenitrile?
The molecular formula of 2-(2-Nitrophenyl)propanenitrile is C9H8N2O2.
What is the molecular weight of 2-(2-Nitrophenyl)propanenitrile?
The molecular weight of 2-(2-Nitrophenyl)propanenitrile is 176.06 g/mol.
Where can I buy 2-(2-Nitrophenyl)propanenitrile?
You can request a quote for 2-(2-Nitrophenyl)propanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(2-Nitrophenyl)propanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(2-Nitrophenyl)propanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.