3,5-Dinitrobenzoate
TL;DR: 3,5-Dinitrobenzoate (CAS 15573-49-6) is a chemical compound with molecular formula C7H3N2O6- and molecular weight 210.99911 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3,5-dinitrobenzoate
Also Known As: 3,5-dinitrobenzoate, 3,5-dinitrobenzoate(1-)
Technical Specifications
| Molecular Formula | C7H3N2O6- |
| Molecular Weight | 210.99911 g/mol |
| XLogP | 2.1 |
| Topological Polar Surface Area (TPSA) | 132.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 0 |
| Exact Mass | 210.99911 Da |
| Heavy Atoms | 15 |
| Complexity | 265.0 |
| SMILES | C1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])C(=O)[O-] |
| InChIKey | VYWYYJYRVSBHJQ-UHFFFAOYSA-M |
Chemical Property Profile of 3,5-Dinitrobenzoate
Property Insights of 3,5-Dinitrobenzoate
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,5-Dinitrobenzoate. The TPSA of 132.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,5-Dinitrobenzoate. Following Lipinski's Rule of Five, 3,5-Dinitrobenzoate has 0 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 3,5-Dinitrobenzoate?
The CAS number of 3,5-Dinitrobenzoate is 15573-49-6.
What is the molecular formula of 3,5-Dinitrobenzoate?
The molecular formula of 3,5-Dinitrobenzoate is C7H3N2O6-.
What is the molecular weight of 3,5-Dinitrobenzoate?
The molecular weight of 3,5-Dinitrobenzoate is 210.99911 g/mol.
Where can I buy 3,5-Dinitrobenzoate?
You can request a quote for 3,5-Dinitrobenzoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3,5-Dinitrobenzoate?
Yes, CoreyChem provides custom synthesis services for 3,5-Dinitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.