1,2-Dichloro-4-(2-nitroprop-1-enyl)benzene
TL;DR: 1,2-Dichloro-4-(2-nitroprop-1-enyl)benzene (CAS 6974-46-5) is a chemical compound with molecular formula C9H7Cl2NO2 and molecular weight 230.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,2-dichloro-4-(2-nitroprop-1-enyl)benzene
Also Known As: 1,2-dichloro-4-(2-nitroprop-1-enyl)benzene, 1,2-dichloro-4-(2-nitroprop-1-en-1-yl)benzene, 1,2-dichloro-4-[(E)-2-nitroprop-1-enyl]benzene, Benzene,1,2-dichloro-4-(2-nitro-1-propen-1-yl)-
| Molecular Formula | C9H7Cl2NO2 |
|---|---|
| Molecular Weight | 230.99 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 45.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 230.98538 |
| Heavy Atoms | 14 |
| Complexity | 250.0 |
Chemical Identifiers
| CAS Number | 6974-46-5 |
|---|---|
| SMILES | CC(=CC1=CC(=C(C=C1)Cl)Cl)[N+](=O)[O-] |
| InChIKey | QLVJMAOJVUYXBE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,2-Dichloro-4-(2-nitroprop-1-enyl)benzene (CAS 6974-46-5), with molecular formula C9H7Cl2NO2 and molecular weight 230.99 g/mol. IUPAC: 1,2-dichloro-4-(2-nitroprop-1-enyl)benzene.
Chemical Property Profile of 1,2-Dichloro-4-(2-nitroprop-1-enyl)benzene
Property Insights of 1,2-Dichloro-4-(2-nitroprop-1-enyl)benzene
The XLogP value of 3.8 indicates that 1,2-Dichloro-4-(2-nitroprop-1-enyl)benzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.8 Ų, 1,2-Dichloro-4-(2-nitroprop-1-enyl)benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,2-Dichloro-4-(2-nitroprop-1-enyl)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 1,2-Dichloro-4-(2-nitroprop-1-enyl)benzene?
The CAS number of 1,2-Dichloro-4-(2-nitroprop-1-enyl)benzene is 6974-46-5.
What is the molecular formula of 1,2-Dichloro-4-(2-nitroprop-1-enyl)benzene?
The molecular formula of 1,2-Dichloro-4-(2-nitroprop-1-enyl)benzene is C9H7Cl2NO2.
What is the molecular weight of 1,2-Dichloro-4-(2-nitroprop-1-enyl)benzene?
The molecular weight of 1,2-Dichloro-4-(2-nitroprop-1-enyl)benzene is 230.99 g/mol.
Where can I buy 1,2-Dichloro-4-(2-nitroprop-1-enyl)benzene?
You can request a quote for 1,2-Dichloro-4-(2-nitroprop-1-enyl)benzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2-Dichloro-4-(2-nitroprop-1-enyl)benzene?
Yes, KEHONG BIO provides custom synthesis services for 1,2-Dichloro-4-(2-nitroprop-1-enyl)benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.