5-Chloro-6-nitro-1,3-benzoxazole
TL;DR: 5-Chloro-6-nitro-1,3-benzoxazole (CAS 116549-11-2) is a chemical compound with molecular formula C7H3ClN2O3 and molecular weight 197.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-chloro-6-nitro-1,3-benzoxazole
Also Known As: 5-chloro-6-nitro-1,3-benzoxazole, 5-Chloro-6-nitrobenzo[d]oxazole, chloronitrobenzoxazole, 5-chloro-6-nitrobenzoxazole, Benzoxazole, 5-chloro-6-nitro-
| Molecular Formula | C7H3ClN2O3 |
|---|---|
| Molecular Weight | 197.98 g/mol |
| LogP | 2.3894 |
| Topological Polar Surface Area | 69.17 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 197.98322 |
| Heavy Atoms | 13 |
| Complexity | 479.54242 |
Chemical Identifiers
| CAS Number | 116549-11-2 |
|---|---|
| SMILES | C1=C2C(=CC(=C1Cl)[N+](=O)[O-])OC=N2 |
Product Overview
5-Chloro-6-nitro-1,3-benzoxazole (CAS 116549-11-2), with molecular formula C7H3ClN2O3 and molecular weight 197.98 g/mol. IUPAC: 5-chloro-6-nitro-1,3-benzoxazole.
Chemical Property Profile of 5-Chloro-6-nitro-1,3-benzoxazole
Property Insights of 5-Chloro-6-nitro-1,3-benzoxazole
The XLogP value of 2.3894 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Chloro-6-nitro-1,3-benzoxazole. The TPSA of 69.17 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Chloro-6-nitro-1,3-benzoxazole. Following Lipinski's Rule of Five, 5-Chloro-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
Frequently Asked Questions
What is the CAS number of 5-Chloro-6-nitro-1,3-benzoxazole?
The CAS number of 5-Chloro-6-nitro-1,3-benzoxazole is 116549-11-2.
What is the molecular formula of 5-Chloro-6-nitro-1,3-benzoxazole?
The molecular formula of 5-Chloro-6-nitro-1,3-benzoxazole is C7H3ClN2O3.
What is the molecular weight of 5-Chloro-6-nitro-1,3-benzoxazole?
The molecular weight of 5-Chloro-6-nitro-1,3-benzoxazole is 197.98 g/mol.
Where can I buy 5-Chloro-6-nitro-1,3-benzoxazole?
You can request a quote for 5-Chloro-6-nitro-1,3-benzoxazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Chloro-6-nitro-1,3-benzoxazole?
Yes, KEHONG BIO provides custom synthesis services for 5-Chloro-6-nitro-1,3-benzoxazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.