2-Chloro-6-fluoro-3-nitrobenzonitrile
TL;DR: 2-Chloro-6-fluoro-3-nitrobenzonitrile (CAS 226419-18-7) is a chemical compound with molecular formula C7H2ClFN2O2 and molecular weight 199.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-6-fluoro-3-nitrobenzonitrile
Also Known As: 2-chloro-6-fluoro-3-nitrobenzonitrile, 2-Chloro-3-cyano-4-fluoronitrobenzene, 2-chloro-6-fluoro-3-nitro-benzonitrile, 2-chloro-6-fluoro-3-nitrobenzenecarbonitrile, Benzonitrile,2-chloro-6-fluoro-3-nitro-
| Molecular Formula | C7H2ClFN2O2 |
|---|---|
| Molecular Weight | 199.98 g/mol |
| LogP | 2.25898 |
| Topological Polar Surface Area | 66.93 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 199.97888 |
| Heavy Atoms | 13 |
| Complexity | 413.68893 |
Chemical Identifiers
| CAS Number | 226419-18-7 |
|---|---|
| SMILES | C1=CC(=C(C(=C1[N+](=O)[O-])Cl)C#N)F |
Product Overview
2-Chloro-6-fluoro-3-nitrobenzonitrile (CAS 226419-18-7), with molecular formula C7H2ClFN2O2 and molecular weight 199.98 g/mol. IUPAC: 2-chloro-6-fluoro-3-nitrobenzonitrile.
Chemical Property Profile of 2-Chloro-6-fluoro-3-nitrobenzonitrile
Property Insights of 2-Chloro-6-fluoro-3-nitrobenzonitrile
The XLogP value of 2.25898 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Chloro-6-fluoro-3-nitrobenzonitrile. The TPSA of 66.93 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Chloro-6-fluoro-3-nitrobenzonitrile. Following Lipinski's Rule of Five, 2-Chloro-6-fluoro-3-nitrobenzonitrile 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-Chloro-6-fluoro-3-nitrobenzonitrile?
The CAS number of 2-Chloro-6-fluoro-3-nitrobenzonitrile is 226419-18-7.
What is the molecular formula of 2-Chloro-6-fluoro-3-nitrobenzonitrile?
The molecular formula of 2-Chloro-6-fluoro-3-nitrobenzonitrile is C7H2ClFN2O2.
What is the molecular weight of 2-Chloro-6-fluoro-3-nitrobenzonitrile?
The molecular weight of 2-Chloro-6-fluoro-3-nitrobenzonitrile is 199.98 g/mol.
Where can I buy 2-Chloro-6-fluoro-3-nitrobenzonitrile?
You can request a quote for 2-Chloro-6-fluoro-3-nitrobenzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Chloro-6-fluoro-3-nitrobenzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloro-6-fluoro-3-nitrobenzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.