2-Chloro-6-fluoro-beta-nitrostyrene
TL;DR: 2-Chloro-6-fluoro-beta-nitrostyrene (CAS 116272-78-7) is a chemical compound with molecular formula C8H5ClFNO2 and molecular weight 201.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-chloro-3-fluoro-2-(2-nitroethenyl)benzene
Also Known As: Maybridge1_007225, 1,4-Dibromo-2,5-dimethoxybenzene, 1-Chloro-3-fluoro-2-(2-nitrovinyl)benzene, 2-Chloro-6-fluoro- beta -nitrostyrene, 1-(2-Chloro-6-fluorophenyl)-2-nitroethene
| Molecular Formula | C8H5ClFNO2 |
|---|---|
| Molecular Weight | 201.00 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 45.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 200.99928 |
| Heavy Atoms | 13 |
| Complexity | 217.0 |
Chemical Identifiers
| CAS Number | 116272-78-7 |
|---|---|
| SMILES | C1=CC(=C(C(=C1)Cl)C=C[N+](=O)[O-])F |
| InChIKey | JCIAIKBVPVMTBD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Chloro-6-fluoro-beta-nitrostyrene (CAS 116272-78-7), with molecular formula C8H5ClFNO2 and molecular weight 201.00 g/mol. IUPAC: 1-chloro-3-fluoro-2-(2-nitroethenyl)benzene.
Chemical Property Profile of 2-Chloro-6-fluoro-beta-nitrostyrene
Property Insights of 2-Chloro-6-fluoro-beta-nitrostyrene
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Chloro-6-fluoro-beta-nitrostyrene. With a topological polar surface area (TPSA) of 45.8 Ų, 2-Chloro-6-fluoro-beta-nitrostyrene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Chloro-6-fluoro-beta-nitrostyrene has 0 hydrogen bond donor(s) and 3 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 2-Chloro-6-fluoro-beta-nitrostyrene?
The CAS number of 2-Chloro-6-fluoro-beta-nitrostyrene is 116272-78-7.
What is the molecular formula of 2-Chloro-6-fluoro-beta-nitrostyrene?
The molecular formula of 2-Chloro-6-fluoro-beta-nitrostyrene is C8H5ClFNO2.
What is the molecular weight of 2-Chloro-6-fluoro-beta-nitrostyrene?
The molecular weight of 2-Chloro-6-fluoro-beta-nitrostyrene is 201.00 g/mol.
Where can I buy 2-Chloro-6-fluoro-beta-nitrostyrene?
You can request a quote for 2-Chloro-6-fluoro-beta-nitrostyrene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Chloro-6-fluoro-beta-nitrostyrene?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloro-6-fluoro-beta-nitrostyrene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.