2-Fluorobenzene-1,3,5-tricarbonitrile
TL;DR: 2-Fluorobenzene-1,3,5-tricarbonitrile (CAS 13519-91-0) is a chemical compound with molecular formula C9H2FN3 and molecular weight 171.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-fluorobenzene-1,3,5-tricarbonitrile
Also Known As: 2-fluorobenzene-1,3,5-tricarbonitrile
| Molecular Formula | C9H2FN3 |
|---|---|
| Molecular Weight | 171.02 g/mol |
| LogP | 1.44074 |
| Topological Polar Surface Area | 71.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 171.02327 |
| Heavy Atoms | 13 |
| Complexity | 436.099 |
Chemical Identifiers
| CAS Number | 13519-91-0 |
|---|---|
| SMILES | C1=C(C=C(C(=C1C#N)F)C#N)C#N |
Product Overview
2-Fluorobenzene-1,3,5-tricarbonitrile (CAS 13519-91-0), with molecular formula C9H2FN3 and molecular weight 171.02 g/mol. IUPAC: 2-fluorobenzene-1,3,5-tricarbonitrile.
Chemical Property Profile of 2-Fluorobenzene-1,3,5-tricarbonitrile
Property Insights of 2-Fluorobenzene-1,3,5-tricarbonitrile
The XLogP value of 1.44074 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Fluorobenzene-1,3,5-tricarbonitrile. The TPSA of 71.37 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Fluorobenzene-1,3,5-tricarbonitrile. Following Lipinski's Rule of Five, 2-Fluorobenzene-1,3,5-tricarbonitrile 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-Fluorobenzene-1,3,5-tricarbonitrile?
The CAS number of 2-Fluorobenzene-1,3,5-tricarbonitrile is 13519-91-0.
What is the molecular formula of 2-Fluorobenzene-1,3,5-tricarbonitrile?
The molecular formula of 2-Fluorobenzene-1,3,5-tricarbonitrile is C9H2FN3.
What is the molecular weight of 2-Fluorobenzene-1,3,5-tricarbonitrile?
The molecular weight of 2-Fluorobenzene-1,3,5-tricarbonitrile is 171.02 g/mol.
Where can I buy 2-Fluorobenzene-1,3,5-tricarbonitrile?
You can request a quote for 2-Fluorobenzene-1,3,5-tricarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Fluorobenzene-1,3,5-tricarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-Fluorobenzene-1,3,5-tricarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.