2-Chloro-3-ethylbenzoxazolium tetrafluoroborate
TL;DR: 2-Chloro-3-ethylbenzoxazolium tetrafluoroborate (CAS 1033201-91-0) is a chemical compound with molecular formula C9H9BClF4NO and molecular weight 269.0402 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-chloro-3-ethyl-1,3-benzoxazol-3-ium tetrafluoroborate
Also Known As: 2-Chloro-3-ethylbenzoxazolium tetrafluoroborate, null, EINECS 263-998-9, 2-Chloro-3-ethylbenzo[d]oxazol-3-ium tetrafluoroborate, c0905
Technical Specifications
| Molecular Formula | C9H9BClF4NO |
| Molecular Weight | 269.0402 g/mol |
| XLogP | 3.6936 |
| Topological Polar Surface Area (TPSA) | 17.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 269.0402 Da |
| Heavy Atoms | 17 |
| Complexity | 184.0 |
| SMILES | [B-](F)(F)(F)F.CC[N+]1=C(OC2=CC=CC=C21)Cl |
| InChIKey | MLQZANYFUYLJRK-UHFFFAOYSA-N |
Chemical Property Profile of 2-Chloro-3-ethylbenzoxazolium tetrafluoroborate
Property Insights of 2-Chloro-3-ethylbenzoxazolium tetrafluoroborate
The XLogP value of 3.6936 indicates that 2-Chloro-3-ethylbenzoxazolium tetrafluoroborate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.0 Ų, 2-Chloro-3-ethylbenzoxazolium tetrafluoroborate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Chloro-3-ethylbenzoxazolium tetrafluoroborate has 0 hydrogen bond donor(s) and 6 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-3-ethylbenzoxazolium tetrafluoroborate?
The CAS number of 2-Chloro-3-ethylbenzoxazolium tetrafluoroborate is 1033201-91-0.
What is the molecular formula of 2-Chloro-3-ethylbenzoxazolium tetrafluoroborate?
The molecular formula of 2-Chloro-3-ethylbenzoxazolium tetrafluoroborate is C9H9BClF4NO.
What is the molecular weight of 2-Chloro-3-ethylbenzoxazolium tetrafluoroborate?
The molecular weight of 2-Chloro-3-ethylbenzoxazolium tetrafluoroborate is 269.0402 g/mol.
Where can I buy 2-Chloro-3-ethylbenzoxazolium tetrafluoroborate?
You can request a quote for 2-Chloro-3-ethylbenzoxazolium tetrafluoroborate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Chloro-3-ethylbenzoxazolium tetrafluoroborate?
Yes, CoreyChem provides custom synthesis services for 2-Chloro-3-ethylbenzoxazolium tetrafluoroborate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.