2-(Chloromethyl)-6-nitro-1,3-benzoxazole
TL;DR: 2-(Chloromethyl)-6-nitro-1,3-benzoxazole (CAS 221638-74-0) is a chemical compound with molecular formula C8H5ClN2O3 and molecular weight 211.99887 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(chloromethyl)-6-nitro-1,3-benzoxazole
Also Known As: 2-(chloromethyl)-6-nitro-1,3-benzoxazole, 2-(chloromethyl)-6-nitrobenzoxazole, 2-(CHLOROMETHYL)-6-NITROBENZO[D]OXAZOLE, 2-chloromethyl-6-nitrobenzoxazole, 2-(chloromethyl)-6-nitro-Benzoxazole
Technical Specifications
| Molecular Formula | C8H5ClN2O3 |
| Molecular Weight | 211.99887 g/mol |
| XLogP | 2.0 |
| Topological Polar Surface Area (TPSA) | 71.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 211.99887 Da |
| Heavy Atoms | 14 |
| Complexity | 233.0 |
| SMILES | C1=CC2=C(C=C1[N+](=O)[O-])OC(=N2)CCl |
| InChIKey | LPTHKRDEKSFWAO-UHFFFAOYSA-N |
Chemical Property Profile of 2-(Chloromethyl)-6-nitro-1,3-benzoxazole
Property Insights of 2-(Chloromethyl)-6-nitro-1,3-benzoxazole
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Chloromethyl)-6-nitro-1,3-benzoxazole. The TPSA of 71.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(Chloromethyl)-6-nitro-1,3-benzoxazole. Following Lipinski's Rule of Five, 2-(Chloromethyl)-6-nitro-1,3-benzoxazole has 0 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-(Chloromethyl)-6-nitro-1,3-benzoxazole?
The CAS number of 2-(Chloromethyl)-6-nitro-1,3-benzoxazole is 221638-74-0.
What is the molecular formula of 2-(Chloromethyl)-6-nitro-1,3-benzoxazole?
The molecular formula of 2-(Chloromethyl)-6-nitro-1,3-benzoxazole is C8H5ClN2O3.
What is the molecular weight of 2-(Chloromethyl)-6-nitro-1,3-benzoxazole?
The molecular weight of 2-(Chloromethyl)-6-nitro-1,3-benzoxazole is 211.99887 g/mol.
Where can I buy 2-(Chloromethyl)-6-nitro-1,3-benzoxazole?
You can request a quote for 2-(Chloromethyl)-6-nitro-1,3-benzoxazole directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-(Chloromethyl)-6-nitro-1,3-benzoxazole?
Yes, CoreyChem provides custom synthesis services for 2-(Chloromethyl)-6-nitro-1,3-benzoxazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.