![3-Nitro-2-[3-(trifluoromethyl)anilino]benzoic acid structure](/static/products/3905/39053-10-6.webp)
3-Nitro-2-[3-(trifluoromethyl)anilino]benzoic acid
TL;DR: 3-Nitro-2-[3-(trifluoromethyl)anilino]benzoic acid (CAS 39053-10-6) is a chemical compound with molecular formula C14H9F3N2O4 and molecular weight 326.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-nitro-2-[3-(trifluoromethyl)anilino]benzoic acid
Also Known As: 6,7-diiodobenzo-1,4-dioxane, 3-nitro-2-[3-(trifluoromethyl)anilino]benzoic acid, 3-Nitro-2-{[3-(trifluoromethyl)phenyl]amino}benzoic acid, Benzoic acid, 3-nitro-2-[[3-(trifluoromethyl)phenyl]amino]-
| Molecular Formula | C14H9F3N2O4 |
|---|---|
| Molecular Weight | 326.05 g/mol |
| LogP | 5.1 |
| Topological Polar Surface Area | 95.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 3 |
| Exact Mass | 326.05145 |
| Heavy Atoms | 23 |
| Complexity | 452.0 |
Chemical Identifiers
| CAS Number | 39053-10-6 |
|---|---|
| SMILES | C1=CC(=CC(=C1)NC2=C(C=CC=C2[N+](=O)[O-])C(=O)O)C(F)(F)F |
| InChIKey | FLBDNTHUPPBERA-UHFFFAOYSA-N |
Product Overview
3-Nitro-2-[3-(trifluoromethyl)anilino]benzoic acid (CAS 39053-10-6), with molecular formula C14H9F3N2O4 and molecular weight 326.05 g/mol. IUPAC: 3-nitro-2-[3-(trifluoromethyl)anilino]benzoic acid.
Chemical Property Profile of 3-Nitro-2-[3-(trifluoromethyl)anilino]benzoic acid
Property Insights of 3-Nitro-2-[3-(trifluoromethyl)anilino]benzoic acid
The XLogP value of 5.1 indicates that 3-Nitro-2-[3-(trifluoromethyl)anilino]benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 95.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Nitro-2-[3-(trifluoromethyl)anilino]benzoic acid. Following Lipinski's Rule of Five, 3-Nitro-2-[3-(trifluoromethyl)anilino]benzoic acid has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-Nitro-2-[3-(trifluoromethyl)anilino]benzoic acid?
The CAS number of 3-Nitro-2-[3-(trifluoromethyl)anilino]benzoic acid is 39053-10-6.
What is the molecular formula of 3-Nitro-2-[3-(trifluoromethyl)anilino]benzoic acid?
The molecular formula of 3-Nitro-2-[3-(trifluoromethyl)anilino]benzoic acid is C14H9F3N2O4.
What is the molecular weight of 3-Nitro-2-[3-(trifluoromethyl)anilino]benzoic acid?
The molecular weight of 3-Nitro-2-[3-(trifluoromethyl)anilino]benzoic acid is 326.05 g/mol.
Where can I buy 3-Nitro-2-[3-(trifluoromethyl)anilino]benzoic acid?
You can request a quote for 3-Nitro-2-[3-(trifluoromethyl)anilino]benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Nitro-2-[3-(trifluoromethyl)anilino]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-Nitro-2-[3-(trifluoromethyl)anilino]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.