3-Nitro-4-(trifluoromethyl)benzoic acid
TL;DR: 3-Nitro-4-(trifluoromethyl)benzoic acid (CAS 320-38-7) is a chemical compound with molecular formula C8H4F3NO4 and molecular weight 235.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-nitro-4-(trifluoromethyl)benzoic acid
Also Known As: 3-nitro-4-(trifluoromethyl)benzoic Acid, 3-Nitro-4-trifluoromethylbenzoic acid, Benzoic acid, 3-nitro-4-(trifluoromethyl)-, 4-Carboxy-2-nitrobenzotrifluorid, 4-(Trifluoromethyl)-3-nitrobenzoic acid
| Molecular Formula | C8H4F3NO4 |
|---|---|
| Molecular Weight | 235.01 g/mol |
| LogP | 2.3118 |
| Topological Polar Surface Area | 80.44 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 235.00925 |
| Heavy Atoms | 16 |
| Complexity | 455.0869 |
Chemical Identifiers
| CAS Number | 320-38-7 |
|---|---|
| SMILES | C1=CC(=C(C=C1C(=O)O)[N+](=O)[O-])C(F)(F)F |
Product Overview
3-Nitro-4-(trifluoromethyl)benzoic acid (CAS 320-38-7), with molecular formula C8H4F3NO4 and molecular weight 235.01 g/mol. IUPAC: 3-nitro-4-(trifluoromethyl)benzoic acid.
Chemical Property Profile of 3-Nitro-4-(trifluoromethyl)benzoic acid
Property Insights of 3-Nitro-4-(trifluoromethyl)benzoic acid
The XLogP value of 2.3118 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Nitro-4-(trifluoromethyl)benzoic acid. The TPSA of 80.44 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Nitro-4-(trifluoromethyl)benzoic acid. Following Lipinski's Rule of Five, 3-Nitro-4-(trifluoromethyl)benzoic acid has 1 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 3-Nitro-4-(trifluoromethyl)benzoic acid?
The CAS number of 3-Nitro-4-(trifluoromethyl)benzoic acid is 320-38-7.
What is the molecular formula of 3-Nitro-4-(trifluoromethyl)benzoic acid?
The molecular formula of 3-Nitro-4-(trifluoromethyl)benzoic acid is C8H4F3NO4.
What is the molecular weight of 3-Nitro-4-(trifluoromethyl)benzoic acid?
The molecular weight of 3-Nitro-4-(trifluoromethyl)benzoic acid is 235.01 g/mol.
Where can I buy 3-Nitro-4-(trifluoromethyl)benzoic acid?
You can request a quote for 3-Nitro-4-(trifluoromethyl)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-4-(trifluoromethyl)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-Nitro-4-(trifluoromethyl)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.