3-Nitro-5-(trifluoromethyl)benzoate
TL;DR: 3-Nitro-5-(trifluoromethyl)benzoate (CAS 328-80-3) is a chemical compound with molecular formula C8H3F3NO4- and molecular weight 234.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-nitro-5-(trifluoromethyl)benzoate
Also Known As: 3-nitro-5-(trifluoromethyl)benzoate, 3-Nitro-5-(trifluoromethyl)benzoic acid
| Molecular Formula | C8H3F3NO4- |
|---|---|
| Molecular Weight | 234.00 g/mol |
| LogP | 0.9771 |
| Topological Polar Surface Area | 83.27 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 234.00142 |
| Heavy Atoms | 16 |
| Complexity | 422.8369 |
Chemical Identifiers
| CAS Number | 328-80-3 |
|---|---|
| SMILES | C1=C(C=C(C=C1C(F)(F)F)[N+](=O)[O-])C(=O)[O-] |
Product Overview
3-Nitro-5-(trifluoromethyl)benzoate (CAS 328-80-3), with molecular formula C8H3F3NO4- and molecular weight 234.00 g/mol. IUPAC: 3-nitro-5-(trifluoromethyl)benzoate.
Chemical Property Profile of 3-Nitro-5-(trifluoromethyl)benzoate
Property Insights of 3-Nitro-5-(trifluoromethyl)benzoate
The XLogP value of 0.9771 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Nitro-5-(trifluoromethyl)benzoate. The TPSA of 83.27 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Nitro-5-(trifluoromethyl)benzoate. Following Lipinski's Rule of Five, 3-Nitro-5-(trifluoromethyl)benzoate has 0 hydrogen bond donor(s) and 4 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-5-(trifluoromethyl)benzoate?
The CAS number of 3-Nitro-5-(trifluoromethyl)benzoate is 328-80-3.
What is the molecular formula of 3-Nitro-5-(trifluoromethyl)benzoate?
The molecular formula of 3-Nitro-5-(trifluoromethyl)benzoate is C8H3F3NO4-.
What is the molecular weight of 3-Nitro-5-(trifluoromethyl)benzoate?
The molecular weight of 3-Nitro-5-(trifluoromethyl)benzoate is 234.00 g/mol.
Where can I buy 3-Nitro-5-(trifluoromethyl)benzoate?
You can request a quote for 3-Nitro-5-(trifluoromethyl)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Nitro-5-(trifluoromethyl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for 3-Nitro-5-(trifluoromethyl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.