Benzene,1-chloro-4-(2-nitro-1-buten-1-YL)-
TL;DR: Benzene,1-chloro-4-(2-nitro-1-buten-1-YL)- (CAS 1205-67-0) is a chemical compound with molecular formula C10H10ClNO2 and molecular weight 211.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-chloro-4-(2-nitrobut-1-enyl)benzene
Also Known As: 1-chloro-4-(2-nitrobut-1-enyl)benzene, 1-chloro-4-(2-nitrobut-1-en-1-yl)benzene, 1-chloro-4-[(E)-2-nitrobut-1-enyl]benzene, BENZENE,1-CHLORO-4-(2-NITRO-1-BUTEN-1-YL)-
| Molecular Formula | C10H10ClNO2 |
|---|---|
| Molecular Weight | 211.04 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 45.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 211.04001 |
| Heavy Atoms | 14 |
| Complexity | 227.0 |
Chemical Identifiers
| CAS Number | 1205-67-0 |
|---|---|
| SMILES | CCC(=CC1=CC=C(C=C1)Cl)[N+](=O)[O-] |
| InChIKey | RKBUYMHZOVVQJR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzene,1-chloro-4-(2-nitro-1-buten-1-YL)- (CAS 1205-67-0), with molecular formula C10H10ClNO2 and molecular weight 211.04 g/mol. IUPAC: 1-chloro-4-(2-nitrobut-1-enyl)benzene.
Chemical Property Profile of Benzene,1-chloro-4-(2-nitro-1-buten-1-YL)-
Property Insights of Benzene,1-chloro-4-(2-nitro-1-buten-1-YL)-
The XLogP value of 3.5 indicates that Benzene,1-chloro-4-(2-nitro-1-buten-1-YL)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.8 Ų, Benzene,1-chloro-4-(2-nitro-1-buten-1-YL)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzene,1-chloro-4-(2-nitro-1-buten-1-YL)- 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 Benzene,1-chloro-4-(2-nitro-1-buten-1-YL)-?
The CAS number of Benzene,1-chloro-4-(2-nitro-1-buten-1-YL)- is 1205-67-0.
What is the molecular formula of Benzene,1-chloro-4-(2-nitro-1-buten-1-YL)-?
The molecular formula of Benzene,1-chloro-4-(2-nitro-1-buten-1-YL)- is C10H10ClNO2.
What is the molecular weight of Benzene,1-chloro-4-(2-nitro-1-buten-1-YL)-?
The molecular weight of Benzene,1-chloro-4-(2-nitro-1-buten-1-YL)- is 211.04 g/mol.
Where can I buy Benzene,1-chloro-4-(2-nitro-1-buten-1-YL)-?
You can request a quote for Benzene,1-chloro-4-(2-nitro-1-buten-1-YL)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzene,1-chloro-4-(2-nitro-1-buten-1-YL)-?
Yes, KEHONG BIO provides custom synthesis services for Benzene,1-chloro-4-(2-nitro-1-buten-1-YL)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.