1-(3-Chloro-propenyl)-3-nitro-benzene
TL;DR: 1-(3-Chloro-propenyl)-3-nitro-benzene (CAS 2016-83-3) is a chemical compound with molecular formula C9H8ClNO2 and molecular weight 197.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3-chloroprop-1-enyl)-3-nitrobenzene
Also Known As: m-nitrocinnamyl chloride, 3-nitro-cinnamyl chloride, 1-(3-CHLORO-PROPENYL)-3-NITRO-BENZENE, 1-(3-chloroprop-1-enyl)-3-nitrobenzene, 3-Chlor-1-(3-nitro-phenyl)-prop-1-en
| Molecular Formula | C9H8ClNO2 |
|---|---|
| Molecular Weight | 197.02 g/mol |
| LogP | 2.8468 |
| Topological Polar Surface Area | 43.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 197.02435 |
| Heavy Atoms | 13 |
| Complexity | 336.1415 |
Chemical Identifiers
| CAS Number | 2016-83-3 |
|---|---|
| SMILES | C1=CC(=CC(=C1)[N+](=O)[O-])C=CCCl |
Product Overview
1-(3-Chloro-propenyl)-3-nitro-benzene (CAS 2016-83-3), with molecular formula C9H8ClNO2 and molecular weight 197.02 g/mol. IUPAC: 1-(3-chloroprop-1-enyl)-3-nitrobenzene.
Chemical Property Profile of 1-(3-Chloro-propenyl)-3-nitro-benzene
Property Insights of 1-(3-Chloro-propenyl)-3-nitro-benzene
The XLogP value of 2.8468 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(3-Chloro-propenyl)-3-nitro-benzene. With a topological polar surface area (TPSA) of 43.14 Ų, 1-(3-Chloro-propenyl)-3-nitro-benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(3-Chloro-propenyl)-3-nitro-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-(3-Chloro-propenyl)-3-nitro-benzene?
The CAS number of 1-(3-Chloro-propenyl)-3-nitro-benzene is 2016-83-3.
What is the molecular formula of 1-(3-Chloro-propenyl)-3-nitro-benzene?
The molecular formula of 1-(3-Chloro-propenyl)-3-nitro-benzene is C9H8ClNO2.
What is the molecular weight of 1-(3-Chloro-propenyl)-3-nitro-benzene?
The molecular weight of 1-(3-Chloro-propenyl)-3-nitro-benzene is 197.02 g/mol.
Where can I buy 1-(3-Chloro-propenyl)-3-nitro-benzene?
You can request a quote for 1-(3-Chloro-propenyl)-3-nitro-benzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(3-Chloro-propenyl)-3-nitro-benzene?
Yes, KEHONG BIO provides custom synthesis services for 1-(3-Chloro-propenyl)-3-nitro-benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.