3-Benzyl-5-chloro-1,2,3-triazole-1-oxide
TL;DR: 3-Benzyl-5-chloro-1,2,3-triazole-1-oxide (CAS 116932-67-3) is a chemical compound with molecular formula C9H8ClN3O and molecular weight 209.03558 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-benzyl-4-chloro-3-oxidotriazol-3-ium
Also Known As: 3-benzyl-5-chloro-triazole-1-oxide, 1-benzyl-4-chloro-3-oxidotriazol-3-ium, 3-Benzyl-5-chloro-1,2,3-triazole 1-oxide, 3-benzyl-5-chloro-1,2,3-triazole-1-oxide
Application Areas
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C9H8ClN3O |
| Molecular Weight | 209.03558 g/mol |
| XLogP | 2.5 |
| Topological Polar Surface Area (TPSA) | 43.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 209.03558 Da |
| Heavy Atoms | 14 |
| Complexity | 187.0 |
| SMILES | C1=CC=C(C=C1)CN2C=C([N+](=N2)[O-])Cl |
| InChIKey | GYMIQCNEXNTQHP-UHFFFAOYSA-N |
Chemical Property Profile of 3-Benzyl-5-chloro-1,2,3-triazole-1-oxide
Property Insights of 3-Benzyl-5-chloro-1,2,3-triazole-1-oxide
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Benzyl-5-chloro-1,2,3-triazole-1-oxide. With a topological polar surface area (TPSA) of 43.3 Ų, 3-Benzyl-5-chloro-1,2,3-triazole-1-oxide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Benzyl-5-chloro-1,2,3-triazole-1-oxide has 0 hydrogen bond donor(s) and 2 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-Benzyl-5-chloro-1,2,3-triazole-1-oxide?
The CAS number of 3-Benzyl-5-chloro-1,2,3-triazole-1-oxide is 116932-67-3.
What is the molecular formula of 3-Benzyl-5-chloro-1,2,3-triazole-1-oxide?
The molecular formula of 3-Benzyl-5-chloro-1,2,3-triazole-1-oxide is C9H8ClN3O.
What is the molecular weight of 3-Benzyl-5-chloro-1,2,3-triazole-1-oxide?
The molecular weight of 3-Benzyl-5-chloro-1,2,3-triazole-1-oxide is 209.03558 g/mol.
Where can I buy 3-Benzyl-5-chloro-1,2,3-triazole-1-oxide?
You can request a quote for 3-Benzyl-5-chloro-1,2,3-triazole-1-oxide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Benzyl-5-chloro-1,2,3-triazole-1-oxide?
Yes, CoreyChem provides custom synthesis services for 3-Benzyl-5-chloro-1,2,3-triazole-1-oxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.