3-Fluoro-2-methylbenzonitrile
TL;DR: 3-Fluoro-2-methylbenzonitrile (CAS 185147-06-2) is a chemical compound with molecular formula C8H6FN and molecular weight 135.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-fluoro-2-methylbenzonitrile
Also Known As: 3-Fluoro-2-methylbenzonitrile, null, 2-cyano-6-fluorotoluene, Benzonitrile, 3-fluoro-2-methyl-, 2-methyl-3-fluoro benzonitrile
| Molecular Formula | C8H6FN |
|---|---|
| Molecular Weight | 135.05 g/mol |
| LogP | 2.0058 |
| Topological Polar Surface Area | 23.79 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 135.04843 |
| Heavy Atoms | 10 |
| Complexity | 285.79935 |
Chemical Identifiers
| CAS Number | 185147-06-2 |
|---|---|
| SMILES | CC1=C(C=CC=C1F)C#N |
Product Overview
3-Fluoro-2-methylbenzonitrile (CAS 185147-06-2), with molecular formula C8H6FN and molecular weight 135.05 g/mol. IUPAC: 3-fluoro-2-methylbenzonitrile.
Chemical Property Profile of 3-Fluoro-2-methylbenzonitrile
Property Insights of 3-Fluoro-2-methylbenzonitrile
The XLogP value of 2.0058 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Fluoro-2-methylbenzonitrile. With a topological polar surface area (TPSA) of 23.79 Ų, 3-Fluoro-2-methylbenzonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Fluoro-2-methylbenzonitrile 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 3-Fluoro-2-methylbenzonitrile?
The CAS number of 3-Fluoro-2-methylbenzonitrile is 185147-06-2.
What is the molecular formula of 3-Fluoro-2-methylbenzonitrile?
The molecular formula of 3-Fluoro-2-methylbenzonitrile is C8H6FN.
What is the molecular weight of 3-Fluoro-2-methylbenzonitrile?
The molecular weight of 3-Fluoro-2-methylbenzonitrile is 135.05 g/mol.
Where can I buy 3-Fluoro-2-methylbenzonitrile?
You can request a quote for 3-Fluoro-2-methylbenzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Fluoro-2-methylbenzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-Fluoro-2-methylbenzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.