1-Chloro-5-methoxy-4-nitro-2-(trifluoromethyl)benzene
TL;DR: 1-Chloro-5-methoxy-4-nitro-2-(trifluoromethyl)benzene (CAS 646989-36-8) is a chemical compound with molecular formula C8H5ClF3NO3 and molecular weight 254.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-chloro-5-methoxy-4-nitro-2-(trifluoromethyl)benzene
Also Known As: 1-chloro-5-methoxy-4-nitro-2-(trifluoromethyl)benzene, 2-Chloro-4-methoxy-5-nitrobenzotrifluoride, 4-chloro-2-methoxy-1-nitro-5-(trifluoromethyl)benzene, 1-Chloro-5-methoxy-4-nitro-2-(trifluoromethyl)benzene, 90%, 1- Chloro- 5- methoxy- 4- nitro- 2- (trifluoromethyl) benzene
| Molecular Formula | C8H5ClF3NO3 |
|---|---|
| Molecular Weight | 254.99 g/mol |
| LogP | 3.2756 |
| Topological Polar Surface Area | 52.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 254.99101 |
| Heavy Atoms | 16 |
| Complexity | 433.2721 |
Chemical Identifiers
| CAS Number | 646989-36-8 |
|---|---|
| SMILES | COC1=C(C=C(C(=C1)Cl)C(F)(F)F)[N+](=O)[O-] |
Product Overview
1-Chloro-5-methoxy-4-nitro-2-(trifluoromethyl)benzene (CAS 646989-36-8), with molecular formula C8H5ClF3NO3 and molecular weight 254.99 g/mol. IUPAC: 1-chloro-5-methoxy-4-nitro-2-(trifluoromethyl)benzene.
Chemical Property Profile of 1-Chloro-5-methoxy-4-nitro-2-(trifluoromethyl)benzene
Property Insights of 1-Chloro-5-methoxy-4-nitro-2-(trifluoromethyl)benzene
The XLogP value of 3.2756 indicates that 1-Chloro-5-methoxy-4-nitro-2-(trifluoromethyl)benzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.37 Ų, 1-Chloro-5-methoxy-4-nitro-2-(trifluoromethyl)benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Chloro-5-methoxy-4-nitro-2-(trifluoromethyl)benzene 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-5-methoxy-4-nitro-2-(trifluoromethyl)benzene?
The CAS number of 1-Chloro-5-methoxy-4-nitro-2-(trifluoromethyl)benzene is 646989-36-8.
What is the molecular formula of 1-Chloro-5-methoxy-4-nitro-2-(trifluoromethyl)benzene?
The molecular formula of 1-Chloro-5-methoxy-4-nitro-2-(trifluoromethyl)benzene is C8H5ClF3NO3.
What is the molecular weight of 1-Chloro-5-methoxy-4-nitro-2-(trifluoromethyl)benzene?
The molecular weight of 1-Chloro-5-methoxy-4-nitro-2-(trifluoromethyl)benzene is 254.99 g/mol.
Where can I buy 1-Chloro-5-methoxy-4-nitro-2-(trifluoromethyl)benzene?
You can request a quote for 1-Chloro-5-methoxy-4-nitro-2-(trifluoromethyl)benzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Chloro-5-methoxy-4-nitro-2-(trifluoromethyl)benzene?
Yes, KEHONG BIO provides custom synthesis services for 1-Chloro-5-methoxy-4-nitro-2-(trifluoromethyl)benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.