4-(2-Bromophenoxy)-2-nitro-1-(trifluoromethyl)benzene
TL;DR: 4-(2-Bromophenoxy)-2-nitro-1-(trifluoromethyl)benzene (CAS 2069-14-9) is a chemical compound with molecular formula C13H7BrF3NO3 and molecular weight 360.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2-bromophenoxy)-2-nitro-1-(trifluoromethyl)benzene
Also Known As: 4-(2-bromophenoxy)-2-nitro-1-(trifluoromethyl)benzene, Ether, o-bromophenyl 3-nitro-alpha,alpha,alpha-trifluoro-p-tolyl-, Ether, o-bromophenyl 3-nitro-.alpha.,.alpha.,.alpha.-trifluoro-p-tolyl-,
| Molecular Formula | C13H7BrF3NO3 |
|---|---|
| Molecular Weight | 360.96 g/mol |
| LogP | 4.9 |
| Topological Polar Surface Area | 55.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 360.95615 |
| Heavy Atoms | 21 |
| Complexity | 375.0 |
Chemical Identifiers
| CAS Number | 2069-14-9 |
|---|---|
| SMILES | C1=CC=C(C(=C1)OC2=CC(=C(C=C2)C(F)(F)F)[N+](=O)[O-])Br |
| InChIKey | XYFOCUHCZLKENV-UHFFFAOYSA-N |
Product Overview
4-(2-Bromophenoxy)-2-nitro-1-(trifluoromethyl)benzene (CAS 2069-14-9), with molecular formula C13H7BrF3NO3 and molecular weight 360.96 g/mol. IUPAC: 4-(2-bromophenoxy)-2-nitro-1-(trifluoromethyl)benzene.
Chemical Property Profile of 4-(2-Bromophenoxy)-2-nitro-1-(trifluoromethyl)benzene
Property Insights of 4-(2-Bromophenoxy)-2-nitro-1-(trifluoromethyl)benzene
The XLogP value of 4.9 indicates that 4-(2-Bromophenoxy)-2-nitro-1-(trifluoromethyl)benzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.1 Ų, 4-(2-Bromophenoxy)-2-nitro-1-(trifluoromethyl)benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(2-Bromophenoxy)-2-nitro-1-(trifluoromethyl)benzene has 0 hydrogen bond donor(s) and 6 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-(2-Bromophenoxy)-2-nitro-1-(trifluoromethyl)benzene?
The CAS number of 4-(2-Bromophenoxy)-2-nitro-1-(trifluoromethyl)benzene is 2069-14-9.
What is the molecular formula of 4-(2-Bromophenoxy)-2-nitro-1-(trifluoromethyl)benzene?
The molecular formula of 4-(2-Bromophenoxy)-2-nitro-1-(trifluoromethyl)benzene is C13H7BrF3NO3.
What is the molecular weight of 4-(2-Bromophenoxy)-2-nitro-1-(trifluoromethyl)benzene?
The molecular weight of 4-(2-Bromophenoxy)-2-nitro-1-(trifluoromethyl)benzene is 360.96 g/mol.
Where can I buy 4-(2-Bromophenoxy)-2-nitro-1-(trifluoromethyl)benzene?
You can request a quote for 4-(2-Bromophenoxy)-2-nitro-1-(trifluoromethyl)benzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(2-Bromophenoxy)-2-nitro-1-(trifluoromethyl)benzene?
Yes, KEHONG BIO provides custom synthesis services for 4-(2-Bromophenoxy)-2-nitro-1-(trifluoromethyl)benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.