4-Chloro-1-fluoro-2-nitrobenzene
TL;DR: 4-Chloro-1-fluoro-2-nitrobenzene (CAS 345-18-6) is a chemical compound with molecular formula C6H3ClFNO2 and molecular weight 174.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-1-fluoro-2-nitrobenzene
Also Known As: 5-chloro-2-fluoronitrobenzene, 4-Chloro-1-fluoro-2-nitrobenzene, 2-fluoro-5-chloronitrobenzene, 4-chloro-1-fluoro-2-nitro-benzene, 5-Chloro-2-fluoro-nitrobenzene
| Molecular Formula | C6H3ClFNO2 |
|---|---|
| Molecular Weight | 174.98 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 45.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 174.98363 |
| Heavy Atoms | 11 |
| Complexity | 161.0 |
Chemical Identifiers
| CAS Number | 345-18-6 |
|---|---|
| SMILES | C1=CC(=C(C=C1Cl)[N+](=O)[O-])F |
| InChIKey | DIAWBHLTWNWYGR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Chloro-1-fluoro-2-nitrobenzene (CAS 345-18-6), with molecular formula C6H3ClFNO2 and molecular weight 174.98 g/mol. IUPAC: 4-chloro-1-fluoro-2-nitrobenzene.
Chemical Property Profile of 4-Chloro-1-fluoro-2-nitrobenzene
Property Insights of 4-Chloro-1-fluoro-2-nitrobenzene
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Chloro-1-fluoro-2-nitrobenzene. With a topological polar surface area (TPSA) of 45.8 Ų, 4-Chloro-1-fluoro-2-nitrobenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Chloro-1-fluoro-2-nitrobenzene has 0 hydrogen bond donor(s) and 3 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 4-Chloro-1-fluoro-2-nitrobenzene?
The CAS number of 4-Chloro-1-fluoro-2-nitrobenzene is 345-18-6.
What is the molecular formula of 4-Chloro-1-fluoro-2-nitrobenzene?
The molecular formula of 4-Chloro-1-fluoro-2-nitrobenzene is C6H3ClFNO2.
What is the molecular weight of 4-Chloro-1-fluoro-2-nitrobenzene?
The molecular weight of 4-Chloro-1-fluoro-2-nitrobenzene is 174.98 g/mol.
Where can I buy 4-Chloro-1-fluoro-2-nitrobenzene?
You can request a quote for 4-Chloro-1-fluoro-2-nitrobenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Chloro-1-fluoro-2-nitrobenzene?
Yes, KEHONG BIO provides custom synthesis services for 4-Chloro-1-fluoro-2-nitrobenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.