1-(2-Chloroethenyl)-3-nitrobenzene
TL;DR: 1-(2-Chloroethenyl)-3-nitrobenzene (CAS 4412-48-0) is a chemical compound with molecular formula C8H6ClNO2 and molecular weight 183.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-chloroethenyl)-3-nitrobenzene
Also Known As: 1-(2-chloroethenyl)-3-nitrobenzene, 1-(2-chloroethenyl)-3-nitro-benzene
| Molecular Formula | C8H6ClNO2 |
|---|---|
| Molecular Weight | 183.01 g/mol |
| LogP | 2.8043 |
| Topological Polar Surface Area | 43.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 183.00871 |
| Heavy Atoms | 12 |
| Complexity | 322.58884 |
Chemical Identifiers
| CAS Number | 4412-48-0 |
|---|---|
| SMILES | C1=CC(=CC(=C1)[N+](=O)[O-])C=CCl |
Product Overview
1-(2-Chloroethenyl)-3-nitrobenzene (CAS 4412-48-0), with molecular formula C8H6ClNO2 and molecular weight 183.01 g/mol. IUPAC: 1-(2-chloroethenyl)-3-nitrobenzene.
Chemical Property Profile of 1-(2-Chloroethenyl)-3-nitrobenzene
Property Insights of 1-(2-Chloroethenyl)-3-nitrobenzene
The XLogP value of 2.8043 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(2-Chloroethenyl)-3-nitrobenzene. With a topological polar surface area (TPSA) of 43.14 Ų, 1-(2-Chloroethenyl)-3-nitrobenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(2-Chloroethenyl)-3-nitrobenzene has 0 hydrogen bond donor(s) and 2 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-(2-Chloroethenyl)-3-nitrobenzene?
The CAS number of 1-(2-Chloroethenyl)-3-nitrobenzene is 4412-48-0.
What is the molecular formula of 1-(2-Chloroethenyl)-3-nitrobenzene?
The molecular formula of 1-(2-Chloroethenyl)-3-nitrobenzene is C8H6ClNO2.
What is the molecular weight of 1-(2-Chloroethenyl)-3-nitrobenzene?
The molecular weight of 1-(2-Chloroethenyl)-3-nitrobenzene is 183.01 g/mol.
Where can I buy 1-(2-Chloroethenyl)-3-nitrobenzene?
You can request a quote for 1-(2-Chloroethenyl)-3-nitrobenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2-Chloroethenyl)-3-nitrobenzene?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-Chloroethenyl)-3-nitrobenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.