6-Chloro-7-nitro-3 H-isobenzofuran-1-one
TL;DR: 6-Chloro-7-nitro-3 H-isobenzofuran-1-one (CAS 886497-05-8) is a chemical compound with molecular formula C8H4ClNO4 and molecular weight 212.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-chloro-7-nitro-3H-2-benzofuran-1-one
Also Known As: 6-Chloro-7-Nitroisobenzofuran-1(3H)-one, 6-CHLORO-7-NITRO-3 H-ISOBENZOFURAN-1-ONE, 6-chloro-7-nitro-3H-2-benzofuran-1-one, 6-Chloro-7-nitro-3H-isobenzofuran-1-one, 6-Chloro-7-nitro-2-benzofuran-1(3H)-one
| Molecular Formula | C8H4ClNO4 |
|---|---|
| Molecular Weight | 212.98 g/mol |
| LogP | 1.9186 |
| Topological Polar Surface Area | 69.44 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 212.98288 |
| Heavy Atoms | 14 |
| Complexity | 443.2126 |
Chemical Identifiers
| CAS Number | 886497-05-8 |
|---|---|
| SMILES | C1C2=C(C(=C(C=C2)Cl)[N+](=O)[O-])C(=O)O1 |
Product Overview
6-Chloro-7-nitro-3 H-isobenzofuran-1-one (CAS 886497-05-8), with molecular formula C8H4ClNO4 and molecular weight 212.98 g/mol. IUPAC: 6-chloro-7-nitro-3H-2-benzofuran-1-one.
Chemical Property Profile of 6-Chloro-7-nitro-3 H-isobenzofuran-1-one
Property Insights of 6-Chloro-7-nitro-3 H-isobenzofuran-1-one
The XLogP value of 1.9186 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Chloro-7-nitro-3 H-isobenzofuran-1-one. The TPSA of 69.44 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-Chloro-7-nitro-3 H-isobenzofuran-1-one. Following Lipinski's Rule of Five, 6-Chloro-7-nitro-3 H-isobenzofuran-1-one 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 6-Chloro-7-nitro-3 H-isobenzofuran-1-one?
The CAS number of 6-Chloro-7-nitro-3 H-isobenzofuran-1-one is 886497-05-8.
What is the molecular formula of 6-Chloro-7-nitro-3 H-isobenzofuran-1-one?
The molecular formula of 6-Chloro-7-nitro-3 H-isobenzofuran-1-one is C8H4ClNO4.
What is the molecular weight of 6-Chloro-7-nitro-3 H-isobenzofuran-1-one?
The molecular weight of 6-Chloro-7-nitro-3 H-isobenzofuran-1-one is 212.98 g/mol.
Where can I buy 6-Chloro-7-nitro-3 H-isobenzofuran-1-one?
You can request a quote for 6-Chloro-7-nitro-3 H-isobenzofuran-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Chloro-7-nitro-3 H-isobenzofuran-1-one?
Yes, KEHONG BIO provides custom synthesis services for 6-Chloro-7-nitro-3 H-isobenzofuran-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.