1-(4-Nitrophenyl)-1H-1,2,3-triazole-4-carboxaldehyde
TL;DR: 1-(4-Nitrophenyl)-1H-1,2,3-triazole-4-carboxaldehyde (CAS 113934-26-2) is a chemical compound with molecular formula C9H6N4O3 and molecular weight 218.04399 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(4-nitrophenyl)triazole-4-carbaldehyde
Also Known As: 1-(4-NITROPHENYL)-1H-1,2,3-TRIAZOLE-4-CARBALDEHYDE, 1-(4-nitrophenyl)triazole-4-carbaldehyde, 1H-1,2,3-Triazole-4-carboxaldehyde, 1-(4-nitrophenyl)-, 1-(4-Nitrophenyl)-1H-1,2,3-triazole-4-carboxaldehyde, 1-(p-nitrophenyl)-1,2,3-triazole-4-carbaldehyde
Technical Specifications
| Molecular Formula | C9H6N4O3 |
| Molecular Weight | 218.04399 g/mol |
| XLogP | 1.0 |
| Topological Polar Surface Area (TPSA) | 93.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 218.04399 Da |
| Heavy Atoms | 16 |
| Complexity | 272.0 |
| SMILES | C1=CC(=CC=C1N2C=C(N=N2)C=O)[N+](=O)[O-] |
| InChIKey | YGHWZZLJKCSTCA-UHFFFAOYSA-N |
Chemical Property Profile of 1-(4-Nitrophenyl)-1H-1,2,3-triazole-4-carboxaldehyde
Property Insights of 1-(4-Nitrophenyl)-1H-1,2,3-triazole-4-carboxaldehyde
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4-Nitrophenyl)-1H-1,2,3-triazole-4-carboxaldehyde. The TPSA of 93.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(4-Nitrophenyl)-1H-1,2,3-triazole-4-carboxaldehyde. Following Lipinski's Rule of Five, 1-(4-Nitrophenyl)-1H-1,2,3-triazole-4-carboxaldehyde has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1-(4-Nitrophenyl)-1H-1,2,3-triazole-4-carboxaldehyde?
The CAS number of 1-(4-Nitrophenyl)-1H-1,2,3-triazole-4-carboxaldehyde is 113934-26-2.
What is the molecular formula of 1-(4-Nitrophenyl)-1H-1,2,3-triazole-4-carboxaldehyde?
The molecular formula of 1-(4-Nitrophenyl)-1H-1,2,3-triazole-4-carboxaldehyde is C9H6N4O3.
What is the molecular weight of 1-(4-Nitrophenyl)-1H-1,2,3-triazole-4-carboxaldehyde?
The molecular weight of 1-(4-Nitrophenyl)-1H-1,2,3-triazole-4-carboxaldehyde is 218.04399 g/mol.
Where can I buy 1-(4-Nitrophenyl)-1H-1,2,3-triazole-4-carboxaldehyde?
You can request a quote for 1-(4-Nitrophenyl)-1H-1,2,3-triazole-4-carboxaldehyde directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-(4-Nitrophenyl)-1H-1,2,3-triazole-4-carboxaldehyde?
Yes, CoreyChem provides custom synthesis services for 1-(4-Nitrophenyl)-1H-1,2,3-triazole-4-carboxaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.