6-nitro-2H-benzotriazole-4-carboxylic acid
TL;DR: 6-nitro-2H-benzotriazole-4-carboxylic acid (CAS 117886-75-6) is a chemical compound with molecular formula C7H4N4O4 and molecular weight 208.02325 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
6-nitro-2H-benzotriazole-4-carboxylic acid
Also Known As: 6-nitro-2H-benzotriazole-4-carboxylic acid, 6-Nitro-1H-benzotriazole-4-carboxylic acid, 5-Nitro-1H-benzo[d][1,2,3]triazole-7-carboxylic acid, 1H-Benzotriazole-7-carboxylicacid, 5-nitro-, BAS 00935342
Technical Specifications
| Molecular Formula | C7H4N4O4 |
| Molecular Weight | 208.02325 g/mol |
| XLogP | 0.4 |
| Topological Polar Surface Area (TPSA) | 125.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 208.02325 Da |
| Heavy Atoms | 15 |
| Complexity | 291.0 |
| SMILES | C1=C(C=C(C2=NNN=C21)C(=O)O)[N+](=O)[O-] |
| InChIKey | JLCPTYPYZSGOJQ-UHFFFAOYSA-N |
Chemical Property Profile of 6-nitro-2H-benzotriazole-4-carboxylic acid
Property Insights of 6-nitro-2H-benzotriazole-4-carboxylic acid
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-nitro-2H-benzotriazole-4-carboxylic acid. The TPSA of 125.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-nitro-2H-benzotriazole-4-carboxylic acid. Following Lipinski's Rule of Five, 6-nitro-2H-benzotriazole-4-carboxylic acid has 2 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 6-nitro-2H-benzotriazole-4-carboxylic acid?
The CAS number of 6-nitro-2H-benzotriazole-4-carboxylic acid is 117886-75-6.
What is the molecular formula of 6-nitro-2H-benzotriazole-4-carboxylic acid?
The molecular formula of 6-nitro-2H-benzotriazole-4-carboxylic acid is C7H4N4O4.
What is the molecular weight of 6-nitro-2H-benzotriazole-4-carboxylic acid?
The molecular weight of 6-nitro-2H-benzotriazole-4-carboxylic acid is 208.02325 g/mol.
Where can I buy 6-nitro-2H-benzotriazole-4-carboxylic acid?
You can request a quote for 6-nitro-2H-benzotriazole-4-carboxylic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 6-nitro-2H-benzotriazole-4-carboxylic acid?
Yes, CoreyChem provides custom synthesis services for 6-nitro-2H-benzotriazole-4-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.