Benzonitrile, 4-nitro-, N-oxide
TL;DR: Benzonitrile, 4-nitro-, N-oxide (CAS 2574-03-0) is a chemical compound with molecular formula C7H4N2O3 and molecular weight 164.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-nitrophenyl)-N-oxidomethanimine
Also Known As: 4-nitrobenzonitrile oxide, 4-Nitrobenzonitrileoxide, Benzonitrile, 4-nitro-, N-oxide, Benzonitrile,4-nitro-N-oxide, 4-nitrobenzonitrile N-oxide
| Molecular Formula | C7H4N2O3 |
|---|---|
| Molecular Weight | 164.02 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 81.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 164.02219 |
| Heavy Atoms | 12 |
| Complexity | 180.0 |
Chemical Identifiers
| CAS Number | 2574-03-0 |
|---|---|
| SMILES | C1=CC(=CC=C1[C+]=N[O-])[N+](=O)[O-] |
| InChIKey | OFALIKGBMGHLIH-UHFFFAOYSA-N |
Product Overview
Benzonitrile, 4-nitro-, N-oxide (CAS 2574-03-0), with molecular formula C7H4N2O3 and molecular weight 164.02 g/mol. IUPAC: 1-(4-nitrophenyl)-N-oxidomethanimine.
Chemical Property Profile of Benzonitrile, 4-nitro-, N-oxide
Property Insights of Benzonitrile, 4-nitro-, N-oxide
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzonitrile, 4-nitro-, N-oxide. The TPSA of 81.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzonitrile, 4-nitro-, N-oxide. Following Lipinski's Rule of Five, Benzonitrile, 4-nitro-, N-oxide 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 Benzonitrile, 4-nitro-, N-oxide?
The CAS number of Benzonitrile, 4-nitro-, N-oxide is 2574-03-0.
What is the molecular formula of Benzonitrile, 4-nitro-, N-oxide?
The molecular formula of Benzonitrile, 4-nitro-, N-oxide is C7H4N2O3.
What is the molecular weight of Benzonitrile, 4-nitro-, N-oxide?
The molecular weight of Benzonitrile, 4-nitro-, N-oxide is 164.02 g/mol.
Where can I buy Benzonitrile, 4-nitro-, N-oxide?
You can request a quote for Benzonitrile, 4-nitro-, N-oxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzonitrile, 4-nitro-, N-oxide?
Yes, KEHONG BIO provides custom synthesis services for Benzonitrile, 4-nitro-, N-oxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.