1-((2-Chloro-4-fluorophenoxy)methyl)-4-nitro-1H-pyrazole
TL;DR: 1-((2-Chloro-4-fluorophenoxy)methyl)-4-nitro-1H-pyrazole (CAS 1003993-40-5) is a chemical compound with molecular formula C10H7ClFN3O3 and molecular weight 271.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(2-chloro-4-fluorophenoxy)methyl]-4-nitropyrazole
Also Known As: 1-((2-Chloro-4-fluorophenoxy)methyl)-4-nitro-1H-pyrazole, 1-[(2-chloro-4-fluorophenoxy)methyl]-4-nitro-1H-pyrazole, 1-(2-Chloro-4-fluoro-phenoxymethyl)-4-nitro-1H-pyrazole, 1-[(2-chloro-4-fluorophenoxy)methyl]-4-nitropyrazole, 2-chloro-4-fluoro-1-[(4-nitropyrazolyl)methoxy]benzene
| Molecular Formula | C10H7ClFN3O3 |
|---|---|
| Molecular Weight | 271.02 g/mol |
| LogP | 2.6203 |
| Topological Polar Surface Area | 70.19 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 271.016 |
| Heavy Atoms | 18 |
| Complexity | 587.49695 |
Chemical Identifiers
| CAS Number | 1003993-40-5 |
|---|---|
| SMILES | C1=CC(=C(C=C1F)Cl)OCN2C=C(C=N2)[N+](=O)[O-] |
Product Overview
1-((2-Chloro-4-fluorophenoxy)methyl)-4-nitro-1H-pyrazole (CAS 1003993-40-5), with molecular formula C10H7ClFN3O3 and molecular weight 271.02 g/mol. IUPAC: 1-[(2-chloro-4-fluorophenoxy)methyl]-4-nitropyrazole.
Chemical Property Profile of 1-((2-Chloro-4-fluorophenoxy)methyl)-4-nitro-1H-pyrazole
Property Insights of 1-((2-Chloro-4-fluorophenoxy)methyl)-4-nitro-1H-pyrazole
The XLogP value of 2.6203 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-((2-Chloro-4-fluorophenoxy)methyl)-4-nitro-1H-pyrazole. The TPSA of 70.19 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-((2-Chloro-4-fluorophenoxy)methyl)-4-nitro-1H-pyrazole. Following Lipinski's Rule of Five, 1-((2-Chloro-4-fluorophenoxy)methyl)-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
Frequently Asked Questions
What is the CAS number of 1-((2-Chloro-4-fluorophenoxy)methyl)-4-nitro-1H-pyrazole?
The CAS number of 1-((2-Chloro-4-fluorophenoxy)methyl)-4-nitro-1H-pyrazole is 1003993-40-5.
What is the molecular formula of 1-((2-Chloro-4-fluorophenoxy)methyl)-4-nitro-1H-pyrazole?
The molecular formula of 1-((2-Chloro-4-fluorophenoxy)methyl)-4-nitro-1H-pyrazole is C10H7ClFN3O3.
What is the molecular weight of 1-((2-Chloro-4-fluorophenoxy)methyl)-4-nitro-1H-pyrazole?
The molecular weight of 1-((2-Chloro-4-fluorophenoxy)methyl)-4-nitro-1H-pyrazole is 271.02 g/mol.
Where can I buy 1-((2-Chloro-4-fluorophenoxy)methyl)-4-nitro-1H-pyrazole?
You can request a quote for 1-((2-Chloro-4-fluorophenoxy)methyl)-4-nitro-1H-pyrazole 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-4-fluorophenoxy)methyl)-4-nitro-1H-pyrazole?
Yes, KEHONG BIO provides custom synthesis services for 1-((2-Chloro-4-fluorophenoxy)methyl)-4-nitro-1H-pyrazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.