5-Chloro-4-fluoro-2-nitroaniline
TL;DR: 5-Chloro-4-fluoro-2-nitroaniline (CAS 54396-44-0) is a chemical compound with molecular formula C6H4ClFN2O2 and molecular weight 189.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-chloro-4-fluoro-2-nitroaniline
Also Known As: 5-Chloro-4-fluoro-2-nitroaniline, null, 2-nitro-4-fluoro-5-chloroaniline, Boc-D-Lys(2-Cl-Z)-OH, 3-Chloro-4-fluoro-6-nitroaniline
| Molecular Formula | C6H4ClFN2O2 |
|---|---|
| Molecular Weight | 189.99 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 71.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 189.99454 |
| Heavy Atoms | 12 |
| Complexity | 187.0 |
Chemical Identifiers
| CAS Number | 54396-44-0 |
|---|---|
| SMILES | C1=C(C(=CC(=C1Cl)F)[N+](=O)[O-])N |
| InChIKey | VRJKEIWZSOHDOH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-Chloro-4-fluoro-2-nitroaniline (CAS 54396-44-0), with molecular formula C6H4ClFN2O2 and molecular weight 189.99 g/mol. IUPAC: 5-chloro-4-fluoro-2-nitroaniline.
Chemical Property Profile of 5-Chloro-4-fluoro-2-nitroaniline
Property Insights of 5-Chloro-4-fluoro-2-nitroaniline
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Chloro-4-fluoro-2-nitroaniline. The TPSA of 71.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Chloro-4-fluoro-2-nitroaniline. Following Lipinski's Rule of Five, 5-Chloro-4-fluoro-2-nitroaniline has 1 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 5-Chloro-4-fluoro-2-nitroaniline?
The CAS number of 5-Chloro-4-fluoro-2-nitroaniline is 54396-44-0.
What is the molecular formula of 5-Chloro-4-fluoro-2-nitroaniline?
The molecular formula of 5-Chloro-4-fluoro-2-nitroaniline is C6H4ClFN2O2.
What is the molecular weight of 5-Chloro-4-fluoro-2-nitroaniline?
The molecular weight of 5-Chloro-4-fluoro-2-nitroaniline is 189.99 g/mol.
Where can I buy 5-Chloro-4-fluoro-2-nitroaniline?
You can request a quote for 5-Chloro-4-fluoro-2-nitroaniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Chloro-4-fluoro-2-nitroaniline?
Yes, KEHONG BIO provides custom synthesis services for 5-Chloro-4-fluoro-2-nitroaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.