Benzene, 4-chloro-1-(methylsulfonyl)-2-nitro-
TL;DR: Benzene, 4-chloro-1-(methylsulfonyl)-2-nitro- (CAS 2163-97-5) is a chemical compound with molecular formula C7H6ClNO4S and molecular weight 234.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-1-methylsulfonyl-2-nitrobenzene
Also Known As: 4-Chloro-2-nitrophenyl methyl sulfone, 4-chloro-1-methanesulfonyl-2-nitrobenzene, 4-chloro-1-(methylsulfonyl)-2-nitrobenzene, 4-chloro-1-methylsulfonyl-2-nitrobenzene, 5-CHLORO-2-METHYLSULFONYLNITROBENZENE
| Molecular Formula | C7H6ClNO4S |
|---|---|
| Molecular Weight | 234.97 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 88.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 234.97061 |
| Heavy Atoms | 14 |
| Complexity | 318.0 |
Chemical Identifiers
| CAS Number | 2163-97-5 |
|---|---|
| SMILES | CS(=O)(=O)C1=C(C=C(C=C1)Cl)[N+](=O)[O-] |
| InChIKey | RAXJLPRGSRMIGR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzene, 4-chloro-1-(methylsulfonyl)-2-nitro- (CAS 2163-97-5), with molecular formula C7H6ClNO4S and molecular weight 234.97 g/mol. IUPAC: 4-chloro-1-methylsulfonyl-2-nitrobenzene.
Chemical Property Profile of Benzene, 4-chloro-1-(methylsulfonyl)-2-nitro-
Property Insights of Benzene, 4-chloro-1-(methylsulfonyl)-2-nitro-
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzene, 4-chloro-1-(methylsulfonyl)-2-nitro-. The TPSA of 88.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzene, 4-chloro-1-(methylsulfonyl)-2-nitro-. Following Lipinski's Rule of Five, Benzene, 4-chloro-1-(methylsulfonyl)-2-nitro- 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 Benzene, 4-chloro-1-(methylsulfonyl)-2-nitro-?
The CAS number of Benzene, 4-chloro-1-(methylsulfonyl)-2-nitro- is 2163-97-5.
What is the molecular formula of Benzene, 4-chloro-1-(methylsulfonyl)-2-nitro-?
The molecular formula of Benzene, 4-chloro-1-(methylsulfonyl)-2-nitro- is C7H6ClNO4S.
What is the molecular weight of Benzene, 4-chloro-1-(methylsulfonyl)-2-nitro-?
The molecular weight of Benzene, 4-chloro-1-(methylsulfonyl)-2-nitro- is 234.97 g/mol.
Where can I buy Benzene, 4-chloro-1-(methylsulfonyl)-2-nitro-?
You can request a quote for Benzene, 4-chloro-1-(methylsulfonyl)-2-nitro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzene, 4-chloro-1-(methylsulfonyl)-2-nitro-?
Yes, KEHONG BIO provides custom synthesis services for Benzene, 4-chloro-1-(methylsulfonyl)-2-nitro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.