![1-[(2-Chloro-6-fluorophenyl)methyl]benzotriazole structure](/static/products/1968/196861-93-5.webp)
1-[(2-Chloro-6-fluorophenyl)methyl]benzotriazole
TL;DR: 1-[(2-Chloro-6-fluorophenyl)methyl]benzotriazole (CAS 196861-93-5) is a chemical compound with molecular formula C13H9ClFN3 and molecular weight 261.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(2-chloro-6-fluorophenyl)methyl]benzotriazole
Also Known As: BAS 11721184, 1-[(2-chloro-6-fluorophenyl)methyl]benzotriazole, 1-(2-chloro-6-fluorobenzyl)-1H-benzotriazole, [(6-chloro-2-fluorophenyl)methyl]benzotriazole, 1-(2-Chloro-6-fluoro-benzyl)-1H-benzotriazole
| Molecular Formula | C13H9ClFN3 |
|---|---|
| Molecular Weight | 261.05 g/mol |
| LogP | 3.2721 |
| Topological Polar Surface Area | 30.71 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 261.0469 |
| Heavy Atoms | 18 |
| Complexity | 688.0278 |
Chemical Identifiers
| CAS Number | 196861-93-5 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=NN2CC3=C(C=CC=C3Cl)F |
Product Overview
1-[(2-Chloro-6-fluorophenyl)methyl]benzotriazole (CAS 196861-93-5), with molecular formula C13H9ClFN3 and molecular weight 261.05 g/mol. IUPAC: 1-[(2-chloro-6-fluorophenyl)methyl]benzotriazole.
Chemical Property Profile of 1-[(2-Chloro-6-fluorophenyl)methyl]benzotriazole
Property Insights of 1-[(2-Chloro-6-fluorophenyl)methyl]benzotriazole
The XLogP value of 3.2721 indicates that 1-[(2-Chloro-6-fluorophenyl)methyl]benzotriazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 30.71 Ų, 1-[(2-Chloro-6-fluorophenyl)methyl]benzotriazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-[(2-Chloro-6-fluorophenyl)methyl]benzotriazole 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 1-[(2-Chloro-6-fluorophenyl)methyl]benzotriazole?
The CAS number of 1-[(2-Chloro-6-fluorophenyl)methyl]benzotriazole is 196861-93-5.
What is the molecular formula of 1-[(2-Chloro-6-fluorophenyl)methyl]benzotriazole?
The molecular formula of 1-[(2-Chloro-6-fluorophenyl)methyl]benzotriazole is C13H9ClFN3.
What is the molecular weight of 1-[(2-Chloro-6-fluorophenyl)methyl]benzotriazole?
The molecular weight of 1-[(2-Chloro-6-fluorophenyl)methyl]benzotriazole is 261.05 g/mol.
Where can I buy 1-[(2-Chloro-6-fluorophenyl)methyl]benzotriazole?
You can request a quote for 1-[(2-Chloro-6-fluorophenyl)methyl]benzotriazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[(2-Chloro-6-fluorophenyl)methyl]benzotriazole?
Yes, KEHONG BIO provides custom synthesis services for 1-[(2-Chloro-6-fluorophenyl)methyl]benzotriazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.