1-Chloro-4-fluoro-2-nitrobenzene
TL;DR: 1-Chloro-4-fluoro-2-nitrobenzene (CAS 345-17-5) 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.
1-chloro-4-fluoro-2-nitrobenzene
Also Known As: 2-Chloro-5-fluoronitrobenzene, 1-Chloro-4-fluoro-2-nitrobenzene, Benzene, 1-chloro-4-fluoro-2-nitro-, 2-Bromo-5-fluoropyridine, 1-Chloro-4-fluoronitrobenzene
| 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 | 345-17-5 |
|---|---|
| SMILES | C1=CC(=C(C=C1F)[N+](=O)[O-])Cl |
| InChIKey | DVXDJQKEEKXJBW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Chloro-4-fluoro-2-nitrobenzene (CAS 345-17-5), with molecular formula C6H3ClFNO2 and molecular weight 174.98 g/mol. IUPAC: 1-chloro-4-fluoro-2-nitrobenzene.
Chemical Property Profile of 1-Chloro-4-fluoro-2-nitrobenzene
Property Insights of 1-Chloro-4-fluoro-2-nitrobenzene
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Chloro-4-fluoro-2-nitrobenzene. With a topological polar surface area (TPSA) of 45.8 Ų, 1-Chloro-4-fluoro-2-nitrobenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Chloro-4-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 1-Chloro-4-fluoro-2-nitrobenzene?
The CAS number of 1-Chloro-4-fluoro-2-nitrobenzene is 345-17-5.
What is the molecular formula of 1-Chloro-4-fluoro-2-nitrobenzene?
The molecular formula of 1-Chloro-4-fluoro-2-nitrobenzene is C6H3ClFNO2.
What is the molecular weight of 1-Chloro-4-fluoro-2-nitrobenzene?
The molecular weight of 1-Chloro-4-fluoro-2-nitrobenzene is 174.98 g/mol.
Where can I buy 1-Chloro-4-fluoro-2-nitrobenzene?
You can request a quote for 1-Chloro-4-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 1-Chloro-4-fluoro-2-nitrobenzene?
Yes, KEHONG BIO provides custom synthesis services for 1-Chloro-4-fluoro-2-nitrobenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.