Benzoic acid, 3,5-dinitro-, isobutyl ester
TL;DR: Benzoic acid, 3,5-dinitro-, isobutyl ester (CAS 10478-01-0) 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.
2-methylpropyl 3,5-dinitrobenzoate
Also Known As: Isobutyl 3,5-dinitrobenzoate, 2-methylpropyl 3,5-dinitrobenzoate, Benzoic acid, 3,5-dinitro-, isobutyl ester, 3,5-dinitro-benzoic acid isobutyl ester, Benzoic acid,5-dinitro-, isobutyl ester
Technical Specifications
| Molecular Formula | C11H12N2O6 |
| Molecular Weight | 268.06955 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 118.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 268.06955 Da |
| Heavy Atoms | 19 |
| Complexity | 337.0 |
| SMILES | CC(C)COC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | BIDNGDDDZYVORY-UHFFFAOYSA-N |
Chemical Property Profile of Benzoic acid, 3,5-dinitro-, isobutyl ester
Property Insights of Benzoic acid, 3,5-dinitro-, isobutyl ester
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzoic acid, 3,5-dinitro-, isobutyl ester. The TPSA of 118.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzoic acid, 3,5-dinitro-, isobutyl ester. Following Lipinski's Rule of Five, Benzoic acid, 3,5-dinitro-, isobutyl ester 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 Benzoic acid, 3,5-dinitro-, isobutyl ester?
The CAS number of Benzoic acid, 3,5-dinitro-, isobutyl ester is 10478-01-0.
What is the molecular formula of Benzoic acid, 3,5-dinitro-, isobutyl ester?
The molecular formula of Benzoic acid, 3,5-dinitro-, isobutyl ester is C11H12N2O6.
What is the molecular weight of Benzoic acid, 3,5-dinitro-, isobutyl ester?
The molecular weight of Benzoic acid, 3,5-dinitro-, isobutyl ester is 268.06955 g/mol.
Where can I buy Benzoic acid, 3,5-dinitro-, isobutyl ester?
You can request a quote for Benzoic acid, 3,5-dinitro-, isobutyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Benzoic acid, 3,5-dinitro-, isobutyl ester?
Yes, CoreyChem provides custom synthesis services for Benzoic acid, 3,5-dinitro-, isobutyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.