4-Nitrotetrafluorobenzonitrile
TL;DR: 4-Nitrotetrafluorobenzonitrile (CAS 17823-35-7) is a chemical compound with molecular formula C7F4N2O2 and molecular weight 219.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,3,5,6-tetrafluoro-4-nitrobenzonitrile
Also Known As: 4-Nitrotetrafluorobenzonitrile, 2,3,5,6-Tetrafluoro-4-nitrobenzonitrile, Benzonitrile, 2,3,5,6-tetrafluoro-4-nitro-, (1-Methylbutyl)triphenylphosphonium bromide, Benzonitrile,2,3,5,6-tetrafluoro-4-nitro
| Molecular Formula | C7F4N2O2 |
|---|---|
| Molecular Weight | 219.99 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 69.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 0 |
| Exact Mass | 219.9896 |
| Heavy Atoms | 15 |
| Complexity | 296.0 |
Chemical Identifiers
| CAS Number | 17823-35-7 |
|---|---|
| SMILES | C(#N)C1=C(C(=C(C(=C1F)F)[N+](=O)[O-])F)F |
| InChIKey | JVSNCRBLHNBLSN-UHFFFAOYSA-N |
Product Overview
4-Nitrotetrafluorobenzonitrile (CAS 17823-35-7), with molecular formula C7F4N2O2 and molecular weight 219.99 g/mol. IUPAC: 2,3,5,6-tetrafluoro-4-nitrobenzonitrile.
Chemical Property Profile of 4-Nitrotetrafluorobenzonitrile
Property Insights of 4-Nitrotetrafluorobenzonitrile
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Nitrotetrafluorobenzonitrile. The TPSA of 69.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Nitrotetrafluorobenzonitrile. Following Lipinski's Rule of Five, 4-Nitrotetrafluorobenzonitrile has 0 hydrogen bond donor(s) and 7 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-Nitrotetrafluorobenzonitrile?
The CAS number of 4-Nitrotetrafluorobenzonitrile is 17823-35-7.
What is the molecular formula of 4-Nitrotetrafluorobenzonitrile?
The molecular formula of 4-Nitrotetrafluorobenzonitrile is C7F4N2O2.
What is the molecular weight of 4-Nitrotetrafluorobenzonitrile?
The molecular weight of 4-Nitrotetrafluorobenzonitrile is 219.99 g/mol.
Where can I buy 4-Nitrotetrafluorobenzonitrile?
You can request a quote for 4-Nitrotetrafluorobenzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Nitrotetrafluorobenzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-Nitrotetrafluorobenzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.