1,1'-Biphenyl, 2-chloro-4'-nitro-4-(trifluoromethyl)-
TL;DR: 1,1'-Biphenyl, 2-chloro-4'-nitro-4-(trifluoromethyl)- (CAS 90791-27-8) is a chemical compound with molecular formula C13H7ClF3NO2 and molecular weight 301.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-1-(4-nitrophenyl)-4-(trifluoromethyl)benzene
Also Known As: 2-chloro-1-(4-nitrophenyl)-4-(trifluoromethyl)benzene, 2-chloro-4'-nitro-4-(trifluoromethyl)biphenyl, 1,1'-Biphenyl, 2-chloro-4'-nitro-4-(trifluoromethyl)-, 2-Chloro-4'-nitro-4-(trifluoromethyl)-1,1'-biphenyl
| Molecular Formula | C13H7ClF3NO2 |
|---|---|
| Molecular Weight | 301.01 g/mol |
| LogP | 4.9 |
| Topological Polar Surface Area | 45.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 301.01175 |
| Heavy Atoms | 20 |
| Complexity | 351.0 |
Chemical Identifiers
| CAS Number | 90791-27-8 |
|---|---|
| SMILES | C1=CC(=CC=C1C2=C(C=C(C=C2)C(F)(F)F)Cl)[N+](=O)[O-] |
| InChIKey | UIQYCKXTBIIDJX-UHFFFAOYSA-N |
Product Overview
1,1'-Biphenyl, 2-chloro-4'-nitro-4-(trifluoromethyl)- (CAS 90791-27-8), with molecular formula C13H7ClF3NO2 and molecular weight 301.01 g/mol. IUPAC: 2-chloro-1-(4-nitrophenyl)-4-(trifluoromethyl)benzene.
Chemical Property Profile of 1,1'-Biphenyl, 2-chloro-4'-nitro-4-(trifluoromethyl)-
Property Insights of 1,1'-Biphenyl, 2-chloro-4'-nitro-4-(trifluoromethyl)-
The XLogP value of 4.9 indicates that 1,1'-Biphenyl, 2-chloro-4'-nitro-4-(trifluoromethyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.8 Ų, 1,1'-Biphenyl, 2-chloro-4'-nitro-4-(trifluoromethyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,1'-Biphenyl, 2-chloro-4'-nitro-4-(trifluoromethyl)- 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 1,1'-Biphenyl, 2-chloro-4'-nitro-4-(trifluoromethyl)-?
The CAS number of 1,1'-Biphenyl, 2-chloro-4'-nitro-4-(trifluoromethyl)- is 90791-27-8.
What is the molecular formula of 1,1'-Biphenyl, 2-chloro-4'-nitro-4-(trifluoromethyl)-?
The molecular formula of 1,1'-Biphenyl, 2-chloro-4'-nitro-4-(trifluoromethyl)- is C13H7ClF3NO2.
What is the molecular weight of 1,1'-Biphenyl, 2-chloro-4'-nitro-4-(trifluoromethyl)-?
The molecular weight of 1,1'-Biphenyl, 2-chloro-4'-nitro-4-(trifluoromethyl)- is 301.01 g/mol.
Where can I buy 1,1'-Biphenyl, 2-chloro-4'-nitro-4-(trifluoromethyl)-?
You can request a quote for 1,1'-Biphenyl, 2-chloro-4'-nitro-4-(trifluoromethyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,1'-Biphenyl, 2-chloro-4'-nitro-4-(trifluoromethyl)-?
Yes, KEHONG BIO provides custom synthesis services for 1,1'-Biphenyl, 2-chloro-4'-nitro-4-(trifluoromethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.