1-Chloro-2-nitro-4-trifluoromethanesulfonylbenzene
TL;DR: 1-Chloro-2-nitro-4-trifluoromethanesulfonylbenzene (CAS 30186-41-5) is a chemical compound with molecular formula C7H3ClF3NO4S and molecular weight 288.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-chloro-2-nitro-4-(trifluoromethylsulfonyl)benzene
Also Known As: 2-nitro-4-(trifluoromethylsulfonyl)chlorobenzene, 1-chloro-2-nitro-4-[(trifluoromethyl)sulfonyl]benzene, 1-Chloro-2-nitro-4-trifluoromethanesulfonyl-benzene, 1-chloro-2-nitro-4-(trifluoromethylsulfonyl)benzene, 1-chloro-2-nitro-4-trifluoromethanesulfonylbenzene
| Molecular Formula | C7H3ClF3NO4S |
|---|---|
| Molecular Weight | 288.94 g/mol |
| LogP | 2.5417 |
| Topological Polar Surface Area | 77.28 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 288.94235 |
| Heavy Atoms | 17 |
| Complexity | 568.9718 |
Chemical Identifiers
| CAS Number | 30186-41-5 |
|---|---|
| SMILES | C1=CC(=C(C=C1S(=O)(=O)C(F)(F)F)[N+](=O)[O-])Cl |
Product Overview
1-Chloro-2-nitro-4-trifluoromethanesulfonylbenzene (CAS 30186-41-5), with molecular formula C7H3ClF3NO4S and molecular weight 288.94 g/mol. IUPAC: 1-chloro-2-nitro-4-(trifluoromethylsulfonyl)benzene.
Chemical Property Profile of 1-Chloro-2-nitro-4-trifluoromethanesulfonylbenzene
Property Insights of 1-Chloro-2-nitro-4-trifluoromethanesulfonylbenzene
The XLogP value of 2.5417 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Chloro-2-nitro-4-trifluoromethanesulfonylbenzene. The TPSA of 77.28 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Chloro-2-nitro-4-trifluoromethanesulfonylbenzene. Following Lipinski's Rule of Five, 1-Chloro-2-nitro-4-trifluoromethanesulfonylbenzene 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 1-Chloro-2-nitro-4-trifluoromethanesulfonylbenzene?
The CAS number of 1-Chloro-2-nitro-4-trifluoromethanesulfonylbenzene is 30186-41-5.
What is the molecular formula of 1-Chloro-2-nitro-4-trifluoromethanesulfonylbenzene?
The molecular formula of 1-Chloro-2-nitro-4-trifluoromethanesulfonylbenzene is C7H3ClF3NO4S.
What is the molecular weight of 1-Chloro-2-nitro-4-trifluoromethanesulfonylbenzene?
The molecular weight of 1-Chloro-2-nitro-4-trifluoromethanesulfonylbenzene is 288.94 g/mol.
Where can I buy 1-Chloro-2-nitro-4-trifluoromethanesulfonylbenzene?
You can request a quote for 1-Chloro-2-nitro-4-trifluoromethanesulfonylbenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Chloro-2-nitro-4-trifluoromethanesulfonylbenzene?
Yes, KEHONG BIO provides custom synthesis services for 1-Chloro-2-nitro-4-trifluoromethanesulfonylbenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.