(4-Nitrophenyl)(oxo)acetonitrile
TL;DR: (4-Nitrophenyl)(oxo)acetonitrile (CAS 6048-20-0) is a chemical compound with molecular formula C8H4N2O3 and molecular weight 176.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-nitrobenzoyl cyanide
Also Known As: 4-nitrobenzoyl cyanide, p-nitrobenzoyl cyanide, (4-nitrophenyl)(oxo)acetonitrile, 2-(4-nitrophenyl)-2-oxo-acetonitrile
| Molecular Formula | C8H4N2O3 |
|---|---|
| Molecular Weight | 176.02 g/mol |
| LogP | 1.30108 |
| Topological Polar Surface Area | 84.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 176.02219 |
| Heavy Atoms | 13 |
| Complexity | 388.8453 |
Chemical Identifiers
| CAS Number | 6048-20-0 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)C#N)[N+](=O)[O-] |
Product Overview
(4-Nitrophenyl)(oxo)acetonitrile (CAS 6048-20-0), with molecular formula C8H4N2O3 and molecular weight 176.02 g/mol. IUPAC: 4-nitrobenzoyl cyanide.
Chemical Property Profile of (4-Nitrophenyl)(oxo)acetonitrile
Property Insights of (4-Nitrophenyl)(oxo)acetonitrile
The XLogP value of 1.30108 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (4-Nitrophenyl)(oxo)acetonitrile. The TPSA of 84.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (4-Nitrophenyl)(oxo)acetonitrile. Following Lipinski's Rule of Five, (4-Nitrophenyl)(oxo)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 (4-Nitrophenyl)(oxo)acetonitrile?
The CAS number of (4-Nitrophenyl)(oxo)acetonitrile is 6048-20-0.
What is the molecular formula of (4-Nitrophenyl)(oxo)acetonitrile?
The molecular formula of (4-Nitrophenyl)(oxo)acetonitrile is C8H4N2O3.
What is the molecular weight of (4-Nitrophenyl)(oxo)acetonitrile?
The molecular weight of (4-Nitrophenyl)(oxo)acetonitrile is 176.02 g/mol.
Where can I buy (4-Nitrophenyl)(oxo)acetonitrile?
You can request a quote for (4-Nitrophenyl)(oxo)acetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4-Nitrophenyl)(oxo)acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for (4-Nitrophenyl)(oxo)acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.