2-(Difluoromethoxy)-5-nitrobenzoic acid
TL;DR: 2-(Difluoromethoxy)-5-nitrobenzoic acid (CAS 438029-38-0) is a chemical compound with molecular formula C8H5F2NO5 and molecular weight 233.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(difluoromethoxy)-5-nitrobenzoic acid
Also Known As: 2-(difluoromethoxy)-5-nitrobenzoic acid, 2-(difluoromethoxy)-5-nitrobenzoicacid, 2-(difluoromethoxy)-5-nitro-benzoic Acid
| Molecular Formula | C8H5F2NO5 |
|---|---|
| Molecular Weight | 233.01 g/mol |
| LogP | 1.8944 |
| Topological Polar Surface Area | 89.67 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 233.01358 |
| Heavy Atoms | 16 |
| Complexity | 434.4369 |
Chemical Identifiers
| CAS Number | 438029-38-0 |
|---|---|
| SMILES | C1=CC(=C(C=C1[N+](=O)[O-])C(=O)O)OC(F)F |
Product Overview
2-(Difluoromethoxy)-5-nitrobenzoic acid (CAS 438029-38-0), with molecular formula C8H5F2NO5 and molecular weight 233.01 g/mol. IUPAC: 2-(difluoromethoxy)-5-nitrobenzoic acid.
Chemical Property Profile of 2-(Difluoromethoxy)-5-nitrobenzoic acid
Property Insights of 2-(Difluoromethoxy)-5-nitrobenzoic acid
The XLogP value of 1.8944 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Difluoromethoxy)-5-nitrobenzoic acid. The TPSA of 89.67 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(Difluoromethoxy)-5-nitrobenzoic acid. Following Lipinski's Rule of Five, 2-(Difluoromethoxy)-5-nitrobenzoic acid has 1 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 2-(Difluoromethoxy)-5-nitrobenzoic acid?
The CAS number of 2-(Difluoromethoxy)-5-nitrobenzoic acid is 438029-38-0.
What is the molecular formula of 2-(Difluoromethoxy)-5-nitrobenzoic acid?
The molecular formula of 2-(Difluoromethoxy)-5-nitrobenzoic acid is C8H5F2NO5.
What is the molecular weight of 2-(Difluoromethoxy)-5-nitrobenzoic acid?
The molecular weight of 2-(Difluoromethoxy)-5-nitrobenzoic acid is 233.01 g/mol.
Where can I buy 2-(Difluoromethoxy)-5-nitrobenzoic acid?
You can request a quote for 2-(Difluoromethoxy)-5-nitrobenzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Difluoromethoxy)-5-nitrobenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(Difluoromethoxy)-5-nitrobenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.