1-(2-chloro-6-fluorobenzyl)-4-nitro-1H-pyrazole
TL;DR: 1-(2-chloro-6-fluorobenzyl)-4-nitro-1H-pyrazole (CAS 1003011-48-0) is a chemical compound with molecular formula C10H7ClFN3O2 and molecular weight 255.02109 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[(2-chloro-6-fluorophenyl)methyl]-4-nitropyrazole
Also Known As: 1-(2-chloro-6-fluorobenzyl)-4-nitro-1H-pyrazole, 1-(2-Chloro-6-fluoro-benzyl)-4-nitro-1H-pyrazole, 1-[(2-chloro-6-fluorophenyl)methyl]-4-nitropyrazole, 1-[(6-chloro-2-fluorophenyl)methyl]-4-nitropyrazole, 1-[(2-chloro-6-fluoro-phenyl)methyl]-4-nitro-pyrazole
Technical Specifications
| Molecular Formula | C10H7ClFN3O2 |
| Molecular Weight | 255.02109 g/mol |
| XLogP | 2.4 |
| Topological Polar Surface Area (TPSA) | 63.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 255.02109 Da |
| Heavy Atoms | 17 |
| Complexity | 289.0 |
| SMILES | C1=CC(=C(C(=C1)Cl)CN2C=C(C=N2)[N+](=O)[O-])F |
| InChIKey | AEWOERYNXQSNFO-UHFFFAOYSA-N |
Chemical Property Profile of 1-(2-chloro-6-fluorobenzyl)-4-nitro-1H-pyrazole
Property Insights of 1-(2-chloro-6-fluorobenzyl)-4-nitro-1H-pyrazole
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(2-chloro-6-fluorobenzyl)-4-nitro-1H-pyrazole. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(2-chloro-6-fluorobenzyl)-4-nitro-1H-pyrazole. Following Lipinski's Rule of Five, 1-(2-chloro-6-fluorobenzyl)-4-nitro-1H-pyrazole has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1-(2-chloro-6-fluorobenzyl)-4-nitro-1H-pyrazole?
The CAS number of 1-(2-chloro-6-fluorobenzyl)-4-nitro-1H-pyrazole is 1003011-48-0.
What is the molecular formula of 1-(2-chloro-6-fluorobenzyl)-4-nitro-1H-pyrazole?
The molecular formula of 1-(2-chloro-6-fluorobenzyl)-4-nitro-1H-pyrazole is C10H7ClFN3O2.
What is the molecular weight of 1-(2-chloro-6-fluorobenzyl)-4-nitro-1H-pyrazole?
The molecular weight of 1-(2-chloro-6-fluorobenzyl)-4-nitro-1H-pyrazole is 255.02109 g/mol.
Where can I buy 1-(2-chloro-6-fluorobenzyl)-4-nitro-1H-pyrazole?
You can request a quote for 1-(2-chloro-6-fluorobenzyl)-4-nitro-1H-pyrazole directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-(2-chloro-6-fluorobenzyl)-4-nitro-1H-pyrazole?
Yes, CoreyChem provides custom synthesis services for 1-(2-chloro-6-fluorobenzyl)-4-nitro-1H-pyrazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.