1-(4-Chlorophenyl)-2-nitroethanone
TL;DR: 1-(4-Chlorophenyl)-2-nitroethanone (CAS 6328-29-6) 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-chlorophenyl)-2-nitroethanone
Also Known As: 1-(4-chlorophenyl)-2-nitroethanone, 1- -2-nitro-ethanone, 4-chlorobenzoylnitromethane, 1-(4-chlorophenyl)-2-nitroethan-1-one, 4 -Chloro-alpha-nitroacetophenone
| Molecular Formula | C8H6ClNO3 |
|---|---|
| Molecular Weight | 199.00 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 62.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 199.00362 |
| Heavy Atoms | 13 |
| Complexity | 206.0 |
Chemical Identifiers
| CAS Number | 6328-29-6 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)C[N+](=O)[O-])Cl |
| InChIKey | HBTIYGUWYOHFGD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(4-Chlorophenyl)-2-nitroethanone (CAS 6328-29-6), with molecular formula C8H6ClNO3 and molecular weight 199.00 g/mol. IUPAC: 1-(4-chlorophenyl)-2-nitroethanone.
Chemical Property Profile of 1-(4-Chlorophenyl)-2-nitroethanone
Property Insights of 1-(4-Chlorophenyl)-2-nitroethanone
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4-Chlorophenyl)-2-nitroethanone. The TPSA of 62.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(4-Chlorophenyl)-2-nitroethanone. Following Lipinski's Rule of Five, 1-(4-Chlorophenyl)-2-nitroethanone 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 1-(4-Chlorophenyl)-2-nitroethanone?
The CAS number of 1-(4-Chlorophenyl)-2-nitroethanone is 6328-29-6.
What is the molecular formula of 1-(4-Chlorophenyl)-2-nitroethanone?
The molecular formula of 1-(4-Chlorophenyl)-2-nitroethanone is C8H6ClNO3.
What is the molecular weight of 1-(4-Chlorophenyl)-2-nitroethanone?
The molecular weight of 1-(4-Chlorophenyl)-2-nitroethanone is 199.00 g/mol.
Where can I buy 1-(4-Chlorophenyl)-2-nitroethanone?
You can request a quote for 1-(4-Chlorophenyl)-2-nitroethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-Chlorophenyl)-2-nitroethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Chlorophenyl)-2-nitroethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.