o-Chloro-beta-nitrostyrene
TL;DR: o-Chloro-beta-nitrostyrene (CAS 3156-34-1) 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-2-(2-nitroethenyl)benzene
Also Known As: 2-Chloro-beta-nitrostyrene, 1-(2-Chlorophenyl)-2-nitroethylene, 1-chloro-2-(2-nitrovinyl)benzene, o-chloro-beta-nitrostyrene, trans-2-Chloro-beta-nitrostyrene
| Molecular Formula | C8H6ClNO2 |
|---|---|
| Molecular Weight | 183.01 g/mol |
| LogP | 2.9 |
| 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 | 188.0 |
Chemical Identifiers
| CAS Number | 3156-34-1 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C=C[N+](=O)[O-])Cl |
| InChIKey | QHKJTRDWAZGBLR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
o-Chloro-beta-nitrostyrene (CAS 3156-34-1), with molecular formula C8H6ClNO2 and molecular weight 183.01 g/mol. IUPAC: 1-chloro-2-(2-nitroethenyl)benzene.
Chemical Property Profile of o-Chloro-beta-nitrostyrene
Property Insights of o-Chloro-beta-nitrostyrene
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for o-Chloro-beta-nitrostyrene. With a topological polar surface area (TPSA) of 45.8 Ų, o-Chloro-beta-nitrostyrene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, o-Chloro-beta-nitrostyrene 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 o-Chloro-beta-nitrostyrene?
The CAS number of o-Chloro-beta-nitrostyrene is 3156-34-1.
What is the molecular formula of o-Chloro-beta-nitrostyrene?
The molecular formula of o-Chloro-beta-nitrostyrene is C8H6ClNO2.
What is the molecular weight of o-Chloro-beta-nitrostyrene?
The molecular weight of o-Chloro-beta-nitrostyrene is 183.01 g/mol.
Where can I buy o-Chloro-beta-nitrostyrene?
You can request a quote for o-Chloro-beta-nitrostyrene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for o-Chloro-beta-nitrostyrene?
Yes, KEHONG BIO provides custom synthesis services for o-Chloro-beta-nitrostyrene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.