1-(4-Chlorophenyl)-2-nitroethene
TL;DR: 1-(4-Chlorophenyl)-2-nitroethene (CAS 706-07-0) 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-chloro-4-(2-nitroethenyl)benzene
Also Known As: 1-chloro-4-(2-nitrovinyl)benzene, 1-(4-chlorophenyl)-2-nitroethene, 4-Chloro-beta-nitrostyrene, 4-chloro B-nitrostyrene, 4'-chloro-beta-nitrostyrene
| Molecular Formula | C8H6ClNO2 |
|---|---|
| Molecular Weight | 183.01 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 45.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 183.00871 |
| Heavy Atoms | 12 |
| Complexity | 180.0 |
Chemical Identifiers
| CAS Number | 706-07-0 |
|---|---|
| SMILES | C1=CC(=CC=C1C=C[N+](=O)[O-])Cl |
| InChIKey | GLJATYFHELDGEA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(4-Chlorophenyl)-2-nitroethene (CAS 706-07-0), with molecular formula C8H6ClNO2 and molecular weight 183.01 g/mol. IUPAC: 1-chloro-4-(2-nitroethenyl)benzene.
Chemical Property Profile of 1-(4-Chlorophenyl)-2-nitroethene
Property Insights of 1-(4-Chlorophenyl)-2-nitroethene
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4-Chlorophenyl)-2-nitroethene. With a topological polar surface area (TPSA) of 45.8 Ų, 1-(4-Chlorophenyl)-2-nitroethene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-Chlorophenyl)-2-nitroethene 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-(4-Chlorophenyl)-2-nitroethene?
The CAS number of 1-(4-Chlorophenyl)-2-nitroethene is 706-07-0.
What is the molecular formula of 1-(4-Chlorophenyl)-2-nitroethene?
The molecular formula of 1-(4-Chlorophenyl)-2-nitroethene is C8H6ClNO2.
What is the molecular weight of 1-(4-Chlorophenyl)-2-nitroethene?
The molecular weight of 1-(4-Chlorophenyl)-2-nitroethene is 183.01 g/mol.
Where can I buy 1-(4-Chlorophenyl)-2-nitroethene?
You can request a quote for 1-(4-Chlorophenyl)-2-nitroethene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-Chlorophenyl)-2-nitroethene?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Chlorophenyl)-2-nitroethene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.