3-Nitro-4-(1H-1,2,4-triazol-1-yl)benzoic acid
TL;DR: 3-Nitro-4-(1H-1,2,4-triazol-1-yl)benzoic acid (CAS 162848-24-0) is a chemical compound with molecular formula C9H6N4O4 and molecular weight 234.03891 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-nitro-4-(1,2,4-triazol-1-yl)benzoic acid
Also Known As: 3-nitro-4-(1H-1,2,4-triazol-1-yl)benzoic acid, 3-nitro-4-(1,2,4-triazol-1-yl)benzoic Acid, 3-nitro-4-(1H-1,2,4-triazol-1-yl)benzenecarboxylic acid, 2G-304S, AB00653286-02
Technical Specifications
| Molecular Formula | C9H6N4O4 |
| Molecular Weight | 234.03891 g/mol |
| XLogP | 1.0 |
| Topological Polar Surface Area (TPSA) | 114.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 234.03891 Da |
| Heavy Atoms | 17 |
| Complexity | 319.0 |
| SMILES | C1=CC(=C(C=C1C(=O)O)[N+](=O)[O-])N2C=NC=N2 |
| InChIKey | ZVCHVNGMLDMGIN-UHFFFAOYSA-N |
Chemical Property Profile of 3-Nitro-4-(1H-1,2,4-triazol-1-yl)benzoic acid
Property Insights of 3-Nitro-4-(1H-1,2,4-triazol-1-yl)benzoic acid
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Nitro-4-(1H-1,2,4-triazol-1-yl)benzoic acid. The TPSA of 114.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Nitro-4-(1H-1,2,4-triazol-1-yl)benzoic acid. Following Lipinski's Rule of Five, 3-Nitro-4-(1H-1,2,4-triazol-1-yl)benzoic 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 3-Nitro-4-(1H-1,2,4-triazol-1-yl)benzoic acid?
The CAS number of 3-Nitro-4-(1H-1,2,4-triazol-1-yl)benzoic acid is 162848-24-0.
What is the molecular formula of 3-Nitro-4-(1H-1,2,4-triazol-1-yl)benzoic acid?
The molecular formula of 3-Nitro-4-(1H-1,2,4-triazol-1-yl)benzoic acid is C9H6N4O4.
What is the molecular weight of 3-Nitro-4-(1H-1,2,4-triazol-1-yl)benzoic acid?
The molecular weight of 3-Nitro-4-(1H-1,2,4-triazol-1-yl)benzoic acid is 234.03891 g/mol.
Where can I buy 3-Nitro-4-(1H-1,2,4-triazol-1-yl)benzoic acid?
You can request a quote for 3-Nitro-4-(1H-1,2,4-triazol-1-yl)benzoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Nitro-4-(1H-1,2,4-triazol-1-yl)benzoic acid?
Yes, CoreyChem provides custom synthesis services for 3-Nitro-4-(1H-1,2,4-triazol-1-yl)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.