2-Bromo-1-fluoro-4-nitrobenzene
TL;DR: 2-Bromo-1-fluoro-4-nitrobenzene (CAS 701-45-1) is a chemical compound with molecular formula C6H3BrFNO2 and molecular weight 218.93 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-bromo-1-fluoro-4-nitrobenzene
Also Known As: 3-Bromo-4-fluoronitrobenzene, 2-Bromo-1-fluoro-4-nitrobenzene, 3-bromo-4-fluoro-1-nitrobenzene, 1-bromo-2-fluoro-5-nitrobenzene, 2-bromo-1-fluoro-4-nitro-benzene
| Molecular Formula | C6H3BrFNO2 |
|---|---|
| Molecular Weight | 218.93 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 45.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 218.93312 |
| Heavy Atoms | 11 |
| Complexity | 161.0 |
Chemical Identifiers
| CAS Number | 701-45-1 |
|---|---|
| SMILES | C1=CC(=C(C=C1[N+](=O)[O-])Br)F |
| InChIKey | FAWMTDSAMOCUAR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Bromo-1-fluoro-4-nitrobenzene (CAS 701-45-1), with molecular formula C6H3BrFNO2 and molecular weight 218.93 g/mol. IUPAC: 2-bromo-1-fluoro-4-nitrobenzene.
Chemical Property Profile of 2-Bromo-1-fluoro-4-nitrobenzene
Property Insights of 2-Bromo-1-fluoro-4-nitrobenzene
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Bromo-1-fluoro-4-nitrobenzene. With a topological polar surface area (TPSA) of 45.8 Ų, 2-Bromo-1-fluoro-4-nitrobenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Bromo-1-fluoro-4-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 2-Bromo-1-fluoro-4-nitrobenzene?
The CAS number of 2-Bromo-1-fluoro-4-nitrobenzene is 701-45-1.
What is the molecular formula of 2-Bromo-1-fluoro-4-nitrobenzene?
The molecular formula of 2-Bromo-1-fluoro-4-nitrobenzene is C6H3BrFNO2.
What is the molecular weight of 2-Bromo-1-fluoro-4-nitrobenzene?
The molecular weight of 2-Bromo-1-fluoro-4-nitrobenzene is 218.93 g/mol.
Where can I buy 2-Bromo-1-fluoro-4-nitrobenzene?
You can request a quote for 2-Bromo-1-fluoro-4-nitrobenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Bromo-1-fluoro-4-nitrobenzene?
Yes, KEHONG BIO provides custom synthesis services for 2-Bromo-1-fluoro-4-nitrobenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.