7-Chloro-4-nitrobenzofuran
TL;DR: 7-Chloro-4-nitrobenzofuran (CAS 115491-60-6) is a chemical compound with molecular formula C8H4ClNO3 and molecular weight 196.98798 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
7-chloro-4-nitro-1-benzofuran
Also Known As: 7-Chloro-4-nitrobenzofuran, 7-Cpnbf, 7-chloro-4-nitro-1-benzofuran, 4-Nitro-7-chlorobenzofuran, Benzofuran,7-chloro-4-nitro-
Technical Specifications
| Molecular Formula | C8H4ClNO3 |
| Molecular Weight | 196.98798 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 59.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 196.98798 Da |
| Heavy Atoms | 13 |
| Complexity | 218.0 |
| SMILES | C1=CC(=C2C(=C1[N+](=O)[O-])C=CO2)Cl |
| InChIKey | XSJMKWLQLBGJSJ-UHFFFAOYSA-N |
Chemical Property Profile of 7-Chloro-4-nitrobenzofuran
Property Insights of 7-Chloro-4-nitrobenzofuran
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-Chloro-4-nitrobenzofuran. With a topological polar surface area (TPSA) of 59.0 Ų, 7-Chloro-4-nitrobenzofuran exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7-Chloro-4-nitrobenzofuran has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 7-Chloro-4-nitrobenzofuran?
The CAS number of 7-Chloro-4-nitrobenzofuran is 115491-60-6.
What is the molecular formula of 7-Chloro-4-nitrobenzofuran?
The molecular formula of 7-Chloro-4-nitrobenzofuran is C8H4ClNO3.
What is the molecular weight of 7-Chloro-4-nitrobenzofuran?
The molecular weight of 7-Chloro-4-nitrobenzofuran is 196.98798 g/mol.
Where can I buy 7-Chloro-4-nitrobenzofuran?
You can request a quote for 7-Chloro-4-nitrobenzofuran directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 7-Chloro-4-nitrobenzofuran?
Yes, CoreyChem provides custom synthesis services for 7-Chloro-4-nitrobenzofuran and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.