4-Tert-butyl-2,5-dinitrobenzoic acid
TL;DR: 4-Tert-butyl-2,5-dinitrobenzoic acid (CAS 104296-43-7) is a chemical compound with molecular formula C11H12N2O6 and molecular weight 268.06955 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-tert-butyl-2,5-dinitrobenzoic acid
Also Known As: 4-tert-butyl-2,5-dinitrobenzoic acid, AN-584/43362394
Technical Specifications
| Molecular Formula | C11H12N2O6 |
| Molecular Weight | 268.06955 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 129.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 268.06955 Da |
| Heavy Atoms | 19 |
| Complexity | 391.0 |
| SMILES | CC(C)(C)C1=C(C=C(C(=C1)[N+](=O)[O-])C(=O)O)[N+](=O)[O-] |
| InChIKey | MQVWXWBIULIBPZ-UHFFFAOYSA-N |
Chemical Property Profile of 4-Tert-butyl-2,5-dinitrobenzoic acid
Property Insights of 4-Tert-butyl-2,5-dinitrobenzoic acid
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Tert-butyl-2,5-dinitrobenzoic acid. The TPSA of 129.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Tert-butyl-2,5-dinitrobenzoic acid. Following Lipinski's Rule of Five, 4-Tert-butyl-2,5-dinitrobenzoic acid 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
What is the CAS number of 4-Tert-butyl-2,5-dinitrobenzoic acid?
The CAS number of 4-Tert-butyl-2,5-dinitrobenzoic acid is 104296-43-7.
What is the molecular formula of 4-Tert-butyl-2,5-dinitrobenzoic acid?
The molecular formula of 4-Tert-butyl-2,5-dinitrobenzoic acid is C11H12N2O6.
What is the molecular weight of 4-Tert-butyl-2,5-dinitrobenzoic acid?
The molecular weight of 4-Tert-butyl-2,5-dinitrobenzoic acid is 268.06955 g/mol.
Where can I buy 4-Tert-butyl-2,5-dinitrobenzoic acid?
You can request a quote for 4-Tert-butyl-2,5-dinitrobenzoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-Tert-butyl-2,5-dinitrobenzoic acid?
Yes, CoreyChem provides custom synthesis services for 4-Tert-butyl-2,5-dinitrobenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.