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Benzene, 1-chloro-4-[(dichloromethyl)sulfonyl]-2-nitro-
TL;DR: Benzene, 1-chloro-4-[(dichloromethyl)sulfonyl]-2-nitro- (CAS 61496-44-4) is a chemical compound with molecular formula C7H4Cl3NO4S and molecular weight 302.89 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-chloro-4-(dichloromethylsulfonyl)-2-nitrobenzene
Also Known As: Benzene, 1-chloro-4-[(dichloromethyl)sulfonyl]-2-nitro-, BAS 00327269, 1-chloro-4-(dichloromethylsulfonyl)-2-nitrobenzene, 1-Chloro-4-(dichloromethanesulfonyl)-2-nitrobenzene, 1-chloro-4-(dichloromethylsulfonyl)-2-nitro-benzene
| Molecular Formula | C7H4Cl3NO4S |
|---|---|
| Molecular Weight | 302.89 g/mol |
| LogP | 2.7831 |
| Topological Polar Surface Area | 77.28 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 302.89267 |
| Heavy Atoms | 16 |
| Complexity | 528.43353 |
Chemical Identifiers
| CAS Number | 61496-44-4 |
|---|---|
| SMILES | C1=CC(=C(C=C1S(=O)(=O)C(Cl)Cl)[N+](=O)[O-])Cl |
Product Overview
Benzene, 1-chloro-4-[(dichloromethyl)sulfonyl]-2-nitro- (CAS 61496-44-4), with molecular formula C7H4Cl3NO4S and molecular weight 302.89 g/mol. IUPAC: 1-chloro-4-(dichloromethylsulfonyl)-2-nitrobenzene.
Chemical Property Profile of Benzene, 1-chloro-4-[(dichloromethyl)sulfonyl]-2-nitro-
Property Insights of Benzene, 1-chloro-4-[(dichloromethyl)sulfonyl]-2-nitro-
The XLogP value of 2.7831 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzene, 1-chloro-4-[(dichloromethyl)sulfonyl]-2-nitro-. The TPSA of 77.28 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzene, 1-chloro-4-[(dichloromethyl)sulfonyl]-2-nitro-. Following Lipinski's Rule of Five, Benzene, 1-chloro-4-[(dichloromethyl)sulfonyl]-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, 1-chloro-4-[(dichloromethyl)sulfonyl]-2-nitro-?
The CAS number of Benzene, 1-chloro-4-[(dichloromethyl)sulfonyl]-2-nitro- is 61496-44-4.
What is the molecular formula of Benzene, 1-chloro-4-[(dichloromethyl)sulfonyl]-2-nitro-?
The molecular formula of Benzene, 1-chloro-4-[(dichloromethyl)sulfonyl]-2-nitro- is C7H4Cl3NO4S.
What is the molecular weight of Benzene, 1-chloro-4-[(dichloromethyl)sulfonyl]-2-nitro-?
The molecular weight of Benzene, 1-chloro-4-[(dichloromethyl)sulfonyl]-2-nitro- is 302.89 g/mol.
Where can I buy Benzene, 1-chloro-4-[(dichloromethyl)sulfonyl]-2-nitro-?
You can request a quote for Benzene, 1-chloro-4-[(dichloromethyl)sulfonyl]-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, 1-chloro-4-[(dichloromethyl)sulfonyl]-2-nitro-?
Yes, KEHONG BIO provides custom synthesis services for Benzene, 1-chloro-4-[(dichloromethyl)sulfonyl]-2-nitro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.