Benzoxazolium, 6-chloro-2,3-dimethyl-, iodide (1:1)
TL;DR: Benzoxazolium, 6-chloro-2,3-dimethyl-, iodide (1:1) (CAS 63816-19-3) is a chemical compound with molecular formula C9H9ClINO and molecular weight 308.94174 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
6-chloro-2,3-dimethyl-1,3-benzoxazol-3-ium iodide
Also Known As: Benzoxazolium, 6-chloro-2,3-dimethyl-, iodide, Benzoxazolium, 6-chloro-2,3-dimethyl-, iodide (1:1), 6-chloro-2,3-dimethyl-1,3-benzoxazol-3-ium iodide
Technical Specifications
| Molecular Formula | C9H9ClINO |
| Molecular Weight | 308.94174 g/mol |
| XLogP | -0.78 |
| Topological Polar Surface Area (TPSA) | 17.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 308.94174 Da |
| Heavy Atoms | 13 |
| Complexity | 176.0 |
| SMILES | CC1=[N+](C2=C(O1)C=C(C=C2)Cl)C.[I-] |
| InChIKey | TVHRMNZRVSWUOY-UHFFFAOYSA-M |
Chemical Property Profile of Benzoxazolium, 6-chloro-2,3-dimethyl-, iodide (1:1)
Property Insights of Benzoxazolium, 6-chloro-2,3-dimethyl-, iodide (1:1)
The XLogP value of -0.78 indicates that Benzoxazolium, 6-chloro-2,3-dimethyl-, iodide (1:1) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 17.0 Ų, Benzoxazolium, 6-chloro-2,3-dimethyl-, iodide (1:1) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzoxazolium, 6-chloro-2,3-dimethyl-, iodide (1:1) 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 Benzoxazolium, 6-chloro-2,3-dimethyl-, iodide (1:1)?
The CAS number of Benzoxazolium, 6-chloro-2,3-dimethyl-, iodide (1:1) is 63816-19-3.
What is the molecular formula of Benzoxazolium, 6-chloro-2,3-dimethyl-, iodide (1:1)?
The molecular formula of Benzoxazolium, 6-chloro-2,3-dimethyl-, iodide (1:1) is C9H9ClINO.
What is the molecular weight of Benzoxazolium, 6-chloro-2,3-dimethyl-, iodide (1:1)?
The molecular weight of Benzoxazolium, 6-chloro-2,3-dimethyl-, iodide (1:1) is 308.94174 g/mol.
Where can I buy Benzoxazolium, 6-chloro-2,3-dimethyl-, iodide (1:1)?
You can request a quote for Benzoxazolium, 6-chloro-2,3-dimethyl-, iodide (1:1) directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Benzoxazolium, 6-chloro-2,3-dimethyl-, iodide (1:1)?
Yes, CoreyChem provides custom synthesis services for Benzoxazolium, 6-chloro-2,3-dimethyl-, iodide (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.