3-Nitro-4-(trifluoromethoxy)bromobenzene
TL;DR: 3-Nitro-4-(trifluoromethoxy)bromobenzene (CAS 95668-20-5) is a chemical compound with molecular formula C7H3BrF3NO3 and molecular weight 284.92 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-bromo-2-nitro-1-(trifluoromethoxy)benzene
Also Known As: 3-Nitro-4-(trifluoromethoxy)bromobenzene, 4-bromo-2-nitro-1-(trifluoromethoxy)benzene, 4-Bromo-2-nitro(trifluoromethoxy)benzene, 5-Bromo-2-(trifluoromethoxy)nitrobenzene, 5-bromo-2-trifluoromethoxynitrobenzene
| Molecular Formula | C7H3BrF3NO3 |
|---|---|
| Molecular Weight | 284.92 g/mol |
| LogP | 3.2559 |
| Topological Polar Surface Area | 52.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 284.92484 |
| Heavy Atoms | 15 |
| Complexity | 393.55707 |
Chemical Identifiers
| CAS Number | 95668-20-5 |
|---|---|
| SMILES | C1=CC(=C(C=C1Br)[N+](=O)[O-])OC(F)(F)F |
Product Overview
3-Nitro-4-(trifluoromethoxy)bromobenzene (CAS 95668-20-5), with molecular formula C7H3BrF3NO3 and molecular weight 284.92 g/mol. IUPAC: 4-bromo-2-nitro-1-(trifluoromethoxy)benzene.
Chemical Property Profile of 3-Nitro-4-(trifluoromethoxy)bromobenzene
Property Insights of 3-Nitro-4-(trifluoromethoxy)bromobenzene
The XLogP value of 3.2559 indicates that 3-Nitro-4-(trifluoromethoxy)bromobenzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.37 Ų, 3-Nitro-4-(trifluoromethoxy)bromobenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Nitro-4-(trifluoromethoxy)bromobenzene 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 3-Nitro-4-(trifluoromethoxy)bromobenzene?
The CAS number of 3-Nitro-4-(trifluoromethoxy)bromobenzene is 95668-20-5.
What is the molecular formula of 3-Nitro-4-(trifluoromethoxy)bromobenzene?
The molecular formula of 3-Nitro-4-(trifluoromethoxy)bromobenzene is C7H3BrF3NO3.
What is the molecular weight of 3-Nitro-4-(trifluoromethoxy)bromobenzene?
The molecular weight of 3-Nitro-4-(trifluoromethoxy)bromobenzene is 284.92 g/mol.
Where can I buy 3-Nitro-4-(trifluoromethoxy)bromobenzene?
You can request a quote for 3-Nitro-4-(trifluoromethoxy)bromobenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Nitro-4-(trifluoromethoxy)bromobenzene?
Yes, KEHONG BIO provides custom synthesis services for 3-Nitro-4-(trifluoromethoxy)bromobenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.