2-Chloro-6-fluorobenzonitrile
TL;DR: 2-Chloro-6-fluorobenzonitrile (CAS 668-45-1) is a chemical compound with molecular formula C7H3ClFN and molecular weight 154.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-6-fluorobenzonitrile
Also Known As: 2-Chloro-6-fluorobenzonitrile, ncr bg ff, 2-Fluoro-6-chlorobenzonitrile, Benzonitrile, 2-chloro-6-fluoro-, 2-chloro-6-fluoro-benzonitrile
| Molecular Formula | C7H3ClFN |
|---|---|
| Molecular Weight | 154.99 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 23.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 154.9938 |
| Heavy Atoms | 10 |
| Complexity | 162.0 |
Chemical Identifiers
| CAS Number | 668-45-1 |
|---|---|
| SMILES | C1=CC(=C(C(=C1)Cl)C#N)F |
| InChIKey | XPTAYRHLHAFUOS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Chloro-6-fluorobenzonitrile (CAS 668-45-1), with molecular formula C7H3ClFN and molecular weight 154.99 g/mol. IUPAC: 2-chloro-6-fluorobenzonitrile.
Chemical Property Profile of 2-Chloro-6-fluorobenzonitrile
Property Insights of 2-Chloro-6-fluorobenzonitrile
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Chloro-6-fluorobenzonitrile. With a topological polar surface area (TPSA) of 23.8 Ų, 2-Chloro-6-fluorobenzonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Chloro-6-fluorobenzonitrile has 0 hydrogen bond donor(s) and 2 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-fluorobenzonitrile?
The CAS number of 2-Chloro-6-fluorobenzonitrile is 668-45-1.
What is the molecular formula of 2-Chloro-6-fluorobenzonitrile?
The molecular formula of 2-Chloro-6-fluorobenzonitrile is C7H3ClFN.
What is the molecular weight of 2-Chloro-6-fluorobenzonitrile?
The molecular weight of 2-Chloro-6-fluorobenzonitrile is 154.99 g/mol.
Where can I buy 2-Chloro-6-fluorobenzonitrile?
You can request a quote for 2-Chloro-6-fluorobenzonitrile 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-fluorobenzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloro-6-fluorobenzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.