4-Chloro-3-fluorobenzonitrile
TL;DR: 4-Chloro-3-fluorobenzonitrile (CAS 110888-15-8) 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.
4-chloro-3-fluorobenzonitrile
Also Known As: 4-Chloro-3-fluorobenzonitrile, 3-fluoro-4-chlorobenzonitrile, 4-chloro-3-fluoro-benzonitrile, Benzonitrile, 4-chloro-3-fluoro-, 4-chloro-3-fluorobenzenecarbonitrile
| Molecular Formula | C7H3ClFN |
|---|---|
| Molecular Weight | 154.99 g/mol |
| LogP | 2.35078 |
| Topological Polar Surface Area | 23.79 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 154.9938 |
| Heavy Atoms | 10 |
| Complexity | 290.14786 |
Chemical Identifiers
| CAS Number | 110888-15-8 |
|---|---|
| SMILES | C1=CC(=C(C=C1C#N)F)Cl |
Product Overview
4-Chloro-3-fluorobenzonitrile (CAS 110888-15-8), with molecular formula C7H3ClFN and molecular weight 154.99 g/mol. IUPAC: 4-chloro-3-fluorobenzonitrile.
Chemical Property Profile of 4-Chloro-3-fluorobenzonitrile
Property Insights of 4-Chloro-3-fluorobenzonitrile
The XLogP value of 2.35078 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Chloro-3-fluorobenzonitrile. With a topological polar surface area (TPSA) of 23.79 Ų, 4-Chloro-3-fluorobenzonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Chloro-3-fluorobenzonitrile has 0 hydrogen bond donor(s) and 1 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-Chloro-3-fluorobenzonitrile?
The CAS number of 4-Chloro-3-fluorobenzonitrile is 110888-15-8.
What is the molecular formula of 4-Chloro-3-fluorobenzonitrile?
The molecular formula of 4-Chloro-3-fluorobenzonitrile is C7H3ClFN.
What is the molecular weight of 4-Chloro-3-fluorobenzonitrile?
The molecular weight of 4-Chloro-3-fluorobenzonitrile is 154.99 g/mol.
Where can I buy 4-Chloro-3-fluorobenzonitrile?
You can request a quote for 4-Chloro-3-fluorobenzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Chloro-3-fluorobenzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-Chloro-3-fluorobenzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.