1-(4-chlorophenyl)-1H-1,2,3-triazole-4-carbaldehyde
TL;DR: 1-(4-chlorophenyl)-1H-1,2,3-triazole-4-carbaldehyde (CAS 113934-27-3) is a chemical compound with molecular formula C9H6ClN3O and molecular weight 207.01994 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(4-chlorophenyl)triazole-4-carbaldehyde
Also Known As: 1-(4-chlorophenyl)-1H-1,2,3-triazole-4-carbaldehyde, 1-(4-chlorophenyl)triazole-4-carbaldehyde, chlorophenyltriazolecarbaldehyde, 2342AA, 4F-375S
Technical Specifications
| Molecular Formula | C9H6ClN3O |
| Molecular Weight | 207.01994 g/mol |
| XLogP | 1.8 |
| Topological Polar Surface Area (TPSA) | 47.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 207.01994 Da |
| Heavy Atoms | 14 |
| Complexity | 206.0 |
| SMILES | C1=CC(=CC=C1N2C=C(N=N2)C=O)Cl |
| InChIKey | QMQRIACXYRMOBZ-UHFFFAOYSA-N |
Chemical Property Profile of 1-(4-chlorophenyl)-1H-1,2,3-triazole-4-carbaldehyde
Property Insights of 1-(4-chlorophenyl)-1H-1,2,3-triazole-4-carbaldehyde
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4-chlorophenyl)-1H-1,2,3-triazole-4-carbaldehyde. With a topological polar surface area (TPSA) of 47.8 Ų, 1-(4-chlorophenyl)-1H-1,2,3-triazole-4-carbaldehyde exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-chlorophenyl)-1H-1,2,3-triazole-4-carbaldehyde has 0 hydrogen bond donor(s) and 3 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-chlorophenyl)-1H-1,2,3-triazole-4-carbaldehyde?
The CAS number of 1-(4-chlorophenyl)-1H-1,2,3-triazole-4-carbaldehyde is 113934-27-3.
What is the molecular formula of 1-(4-chlorophenyl)-1H-1,2,3-triazole-4-carbaldehyde?
The molecular formula of 1-(4-chlorophenyl)-1H-1,2,3-triazole-4-carbaldehyde is C9H6ClN3O.
What is the molecular weight of 1-(4-chlorophenyl)-1H-1,2,3-triazole-4-carbaldehyde?
The molecular weight of 1-(4-chlorophenyl)-1H-1,2,3-triazole-4-carbaldehyde is 207.01994 g/mol.
Where can I buy 1-(4-chlorophenyl)-1H-1,2,3-triazole-4-carbaldehyde?
You can request a quote for 1-(4-chlorophenyl)-1H-1,2,3-triazole-4-carbaldehyde directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-(4-chlorophenyl)-1H-1,2,3-triazole-4-carbaldehyde?
Yes, CoreyChem provides custom synthesis services for 1-(4-chlorophenyl)-1H-1,2,3-triazole-4-carbaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.