2-Methyl-5-nitrobenzeneboronic acid
TL;DR: 2-Methyl-5-nitrobenzeneboronic acid (CAS 100960-11-0) is a chemical compound with molecular formula C7H8BNO4 and molecular weight 181.05464 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2-methyl-5-nitrophenyl)boronic acid
Also Known As: 2-Methyl-5-nitrophenylboronic acid, (2-methyl-5-nitrophenyl)boronic acid, null, 2-Methyl-5-nitrobenzeneboronic acid, 2-Borono-4-nitrotoluene
Technical Specifications
| Molecular Formula | C7H8BNO4 |
| Molecular Weight | 181.05464 g/mol |
| XLogP | -0.41698 |
| Topological Polar Surface Area (TPSA) | 86.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 181.05464 Da |
| Heavy Atoms | 13 |
| Complexity | 193.0 |
| SMILES | B(C1=C(C=CC(=C1)[N+](=O)[O-])C)(O)O |
| InChIKey | HRJFQIRIDFXMNX-UHFFFAOYSA-N |
Chemical Property Profile of 2-Methyl-5-nitrobenzeneboronic acid
Property Insights of 2-Methyl-5-nitrobenzeneboronic acid
The XLogP value of -0.41698 indicates that 2-Methyl-5-nitrobenzeneboronic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 86.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Methyl-5-nitrobenzeneboronic acid. Following Lipinski's Rule of Five, 2-Methyl-5-nitrobenzeneboronic acid has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2-Methyl-5-nitrobenzeneboronic acid?
The CAS number of 2-Methyl-5-nitrobenzeneboronic acid is 100960-11-0.
What is the molecular formula of 2-Methyl-5-nitrobenzeneboronic acid?
The molecular formula of 2-Methyl-5-nitrobenzeneboronic acid is C7H8BNO4.
What is the molecular weight of 2-Methyl-5-nitrobenzeneboronic acid?
The molecular weight of 2-Methyl-5-nitrobenzeneboronic acid is 181.05464 g/mol.
Where can I buy 2-Methyl-5-nitrobenzeneboronic acid?
You can request a quote for 2-Methyl-5-nitrobenzeneboronic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Methyl-5-nitrobenzeneboronic acid?
Yes, CoreyChem provides custom synthesis services for 2-Methyl-5-nitrobenzeneboronic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.