2-chloro-6-(4H-1,2,4-triazol-4-yl)benzoic acid
TL;DR: 2-chloro-6-(4H-1,2,4-triazol-4-yl)benzoic acid (CAS 1351385-11-9) is a chemical compound with molecular formula C9H6ClN3O2 and molecular weight 223.01485 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-chloro-6-(1,2,4-triazol-4-yl)benzoic acid
Also Known As: 2-chloro-6-(4H-1,2,4-triazol-4-yl)benzoic acid, 2-chloro-6-(1,2,4-triazol-4-yl)benzoic acid, ASN 12766363, BB 0260907, 2-Chloro-6-(4H-1,2,4-triazol-4-yl)benzoicacid
Technical Specifications
| Molecular Formula | C9H6ClN3O2 |
| Molecular Weight | 223.01485 g/mol |
| XLogP | 1.2 |
| Topological Polar Surface Area (TPSA) | 68.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 223.01485 Da |
| Heavy Atoms | 15 |
| Complexity | 246.0 |
| SMILES | C1=CC(=C(C(=C1)Cl)C(=O)O)N2C=NN=C2 |
| InChIKey | OMZYVXNFZJKXPR-UHFFFAOYSA-N |
Chemical Property Profile of 2-chloro-6-(4H-1,2,4-triazol-4-yl)benzoic acid
Property Insights of 2-chloro-6-(4H-1,2,4-triazol-4-yl)benzoic acid
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-chloro-6-(4H-1,2,4-triazol-4-yl)benzoic acid. The TPSA of 68.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-chloro-6-(4H-1,2,4-triazol-4-yl)benzoic acid. Following Lipinski's Rule of Five, 2-chloro-6-(4H-1,2,4-triazol-4-yl)benzoic acid has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2-chloro-6-(4H-1,2,4-triazol-4-yl)benzoic acid?
The CAS number of 2-chloro-6-(4H-1,2,4-triazol-4-yl)benzoic acid is 1351385-11-9.
What is the molecular formula of 2-chloro-6-(4H-1,2,4-triazol-4-yl)benzoic acid?
The molecular formula of 2-chloro-6-(4H-1,2,4-triazol-4-yl)benzoic acid is C9H6ClN3O2.
What is the molecular weight of 2-chloro-6-(4H-1,2,4-triazol-4-yl)benzoic acid?
The molecular weight of 2-chloro-6-(4H-1,2,4-triazol-4-yl)benzoic acid is 223.01485 g/mol.
Where can I buy 2-chloro-6-(4H-1,2,4-triazol-4-yl)benzoic acid?
You can request a quote for 2-chloro-6-(4H-1,2,4-triazol-4-yl)benzoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-chloro-6-(4H-1,2,4-triazol-4-yl)benzoic acid?
Yes, CoreyChem provides custom synthesis services for 2-chloro-6-(4H-1,2,4-triazol-4-yl)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.