1-Bromo-4-(2-nitro-vinyl)-benzene
TL;DR: 1-Bromo-4-(2-nitro-vinyl)-benzene (CAS 3156-37-4) is a chemical compound with molecular formula C8H6BrNO2 and molecular weight 226.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-bromo-4-(2-nitroethenyl)benzene
Also Known As: 4-bromo-nitrostyrene, trans-4-Bromo-beta-nitrostyrene, p-bromo-beta-nitrostyrene, 1-bromo-4-(2-nitroethenyl)benzene, 1-Bromo-4-(2-nitrovinyl)benzene
| Molecular Formula | C8H6BrNO2 |
|---|---|
| Molecular Weight | 226.96 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 45.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 226.95819 |
| Heavy Atoms | 12 |
| Complexity | 180.0 |
Chemical Identifiers
| CAS Number | 3156-37-4 |
|---|---|
| SMILES | C1=CC(=CC=C1C=C[N+](=O)[O-])Br |
| InChIKey | LSGVHLGCJIBLMB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Bromo-4-(2-nitro-vinyl)-benzene (CAS 3156-37-4), with molecular formula C8H6BrNO2 and molecular weight 226.96 g/mol. IUPAC: 1-bromo-4-(2-nitroethenyl)benzene.
Chemical Property Profile of 1-Bromo-4-(2-nitro-vinyl)-benzene
Property Insights of 1-Bromo-4-(2-nitro-vinyl)-benzene
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Bromo-4-(2-nitro-vinyl)-benzene. With a topological polar surface area (TPSA) of 45.8 Ų, 1-Bromo-4-(2-nitro-vinyl)-benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Bromo-4-(2-nitro-vinyl)-benzene 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-Bromo-4-(2-nitro-vinyl)-benzene?
The CAS number of 1-Bromo-4-(2-nitro-vinyl)-benzene is 3156-37-4.
What is the molecular formula of 1-Bromo-4-(2-nitro-vinyl)-benzene?
The molecular formula of 1-Bromo-4-(2-nitro-vinyl)-benzene is C8H6BrNO2.
What is the molecular weight of 1-Bromo-4-(2-nitro-vinyl)-benzene?
The molecular weight of 1-Bromo-4-(2-nitro-vinyl)-benzene is 226.96 g/mol.
Where can I buy 1-Bromo-4-(2-nitro-vinyl)-benzene?
You can request a quote for 1-Bromo-4-(2-nitro-vinyl)-benzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Bromo-4-(2-nitro-vinyl)-benzene?
Yes, KEHONG BIO provides custom synthesis services for 1-Bromo-4-(2-nitro-vinyl)-benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.