2-Nitro-4-(trifluoromethyl)phenol
TL;DR: 2-Nitro-4-(trifluoromethyl)phenol (CAS 400-99-7) is a chemical compound with molecular formula C7H4F3NO3 and molecular weight 207.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-nitro-4-(trifluoromethyl)phenol
Also Known As: 2-Nitro-4-(trifluoromethyl)phenol, 4-Hydroxy-3-nitrobenzotrifluoride, Phenol, 2-nitro-4-(trifluoromethyl)-, 2-Nitro-4-Trifluoromethylphenol, 5-Fluoro-N-(BOC)indole
| Molecular Formula | C7H4F3NO3 |
|---|---|
| Molecular Weight | 207.01 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 66.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 0 |
| Exact Mass | 207.01433 |
| Heavy Atoms | 14 |
| Complexity | 225.0 |
Chemical Identifiers
| CAS Number | 400-99-7 |
|---|---|
| SMILES | C1=CC(=C(C=C1C(F)(F)F)[N+](=O)[O-])O |
| InChIKey | XZEDEVRSUANQEM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Nitro-4-(trifluoromethyl)phenol (CAS 400-99-7), with molecular formula C7H4F3NO3 and molecular weight 207.01 g/mol. IUPAC: 2-nitro-4-(trifluoromethyl)phenol.
Chemical Property Profile of 2-Nitro-4-(trifluoromethyl)phenol
Property Insights of 2-Nitro-4-(trifluoromethyl)phenol
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Nitro-4-(trifluoromethyl)phenol. The TPSA of 66.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Nitro-4-(trifluoromethyl)phenol. Following Lipinski's Rule of Five, 2-Nitro-4-(trifluoromethyl)phenol has 1 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 2-Nitro-4-(trifluoromethyl)phenol?
The CAS number of 2-Nitro-4-(trifluoromethyl)phenol is 400-99-7.
What is the molecular formula of 2-Nitro-4-(trifluoromethyl)phenol?
The molecular formula of 2-Nitro-4-(trifluoromethyl)phenol is C7H4F3NO3.
What is the molecular weight of 2-Nitro-4-(trifluoromethyl)phenol?
The molecular weight of 2-Nitro-4-(trifluoromethyl)phenol is 207.01 g/mol.
Where can I buy 2-Nitro-4-(trifluoromethyl)phenol?
You can request a quote for 2-Nitro-4-(trifluoromethyl)phenol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Nitro-4-(trifluoromethyl)phenol?
Yes, KEHONG BIO provides custom synthesis services for 2-Nitro-4-(trifluoromethyl)phenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.