3-Bromo-4,6-dinitrofluorobenzene
TL;DR: 3-Bromo-4,6-dinitrofluorobenzene (CAS 52903-71-6) is a chemical compound with molecular formula C6H2BrFN2O4 and molecular weight 263.92 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-bromo-5-fluoro-2,4-dinitrobenzene
Also Known As: 1-bromo-5-fluoro-2,4-dinitrobenzene, 3-BROMO-4,6-DINITROFLUOROBENZENE, 1-bromo-5-fluoro-2,4-dinitro-benzene, DLNYTDLCDYDPLV-UHFFFAOYSA-, 3-bromo-4 6-dinitrofluorobenzene
| Molecular Formula | C6H2BrFN2O4 |
|---|---|
| Molecular Weight | 263.92 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 91.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 263.9182 |
| Heavy Atoms | 14 |
| Complexity | 253.0 |
Chemical Identifiers
| CAS Number | 52903-71-6 |
|---|---|
| SMILES | C1=C(C(=CC(=C1[N+](=O)[O-])Br)F)[N+](=O)[O-] |
| InChIKey | DLNYTDLCDYDPLV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Bromo-4,6-dinitrofluorobenzene (CAS 52903-71-6), with molecular formula C6H2BrFN2O4 and molecular weight 263.92 g/mol. IUPAC: 1-bromo-5-fluoro-2,4-dinitrobenzene.
Chemical Property Profile of 3-Bromo-4,6-dinitrofluorobenzene
Property Insights of 3-Bromo-4,6-dinitrofluorobenzene
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Bromo-4,6-dinitrofluorobenzene. The TPSA of 91.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Bromo-4,6-dinitrofluorobenzene. Following Lipinski's Rule of Five, 3-Bromo-4,6-dinitrofluorobenzene has 0 hydrogen bond donor(s) and 5 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 3-Bromo-4,6-dinitrofluorobenzene?
The CAS number of 3-Bromo-4,6-dinitrofluorobenzene is 52903-71-6.
What is the molecular formula of 3-Bromo-4,6-dinitrofluorobenzene?
The molecular formula of 3-Bromo-4,6-dinitrofluorobenzene is C6H2BrFN2O4.
What is the molecular weight of 3-Bromo-4,6-dinitrofluorobenzene?
The molecular weight of 3-Bromo-4,6-dinitrofluorobenzene is 263.92 g/mol.
Where can I buy 3-Bromo-4,6-dinitrofluorobenzene?
You can request a quote for 3-Bromo-4,6-dinitrofluorobenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Bromo-4,6-dinitrofluorobenzene?
Yes, KEHONG BIO provides custom synthesis services for 3-Bromo-4,6-dinitrofluorobenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.