4'-Chloro-3'-nitroacetophenone
TL;DR: 4'-Chloro-3'-nitroacetophenone (CAS 5465-65-6) is a chemical compound with molecular formula C8H6ClNO3 and molecular weight 199.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-chloro-3-nitrophenyl)ethanone
Also Known As: 4'-Chloro-3'-nitroacetophenone, 1-(4-Chloro-3-nitrophenyl)ethanone, 4-Chloro-3-nitroacetophenone, null, Ethanone, 1-(4-chloro-3-nitrophenyl)-
| Molecular Formula | C8H6ClNO3 |
|---|---|
| Molecular Weight | 199.00 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 62.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 199.00362 |
| Heavy Atoms | 13 |
| Complexity | 226.0 |
Chemical Identifiers
| CAS Number | 5465-65-6 |
|---|---|
| SMILES | CC(=O)C1=CC(=C(C=C1)Cl)[N+](=O)[O-] |
| InChIKey | YEVPHFIFGUWSMG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4'-Chloro-3'-nitroacetophenone (CAS 5465-65-6), with molecular formula C8H6ClNO3 and molecular weight 199.00 g/mol. IUPAC: 1-(4-chloro-3-nitrophenyl)ethanone.
Chemical Property Profile of 4'-Chloro-3'-nitroacetophenone
Property Insights of 4'-Chloro-3'-nitroacetophenone
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4'-Chloro-3'-nitroacetophenone. The TPSA of 62.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 4'-Chloro-3'-nitroacetophenone. Following Lipinski's Rule of Five, 4'-Chloro-3'-nitroacetophenone 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 4'-Chloro-3'-nitroacetophenone?
The CAS number of 4'-Chloro-3'-nitroacetophenone is 5465-65-6.
What is the molecular formula of 4'-Chloro-3'-nitroacetophenone?
The molecular formula of 4'-Chloro-3'-nitroacetophenone is C8H6ClNO3.
What is the molecular weight of 4'-Chloro-3'-nitroacetophenone?
The molecular weight of 4'-Chloro-3'-nitroacetophenone is 199.00 g/mol.
Where can I buy 4'-Chloro-3'-nitroacetophenone?
You can request a quote for 4'-Chloro-3'-nitroacetophenone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4'-Chloro-3'-nitroacetophenone?
Yes, KEHONG BIO provides custom synthesis services for 4'-Chloro-3'-nitroacetophenone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.