1-(2-Bromo-4-nitrophenyl)ethanone
TL;DR: 1-(2-Bromo-4-nitrophenyl)ethanone (CAS 90004-93-6) is a chemical compound with molecular formula C8H6BrNO3 and molecular weight 242.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-bromo-4-nitrophenyl)ethanone
Also Known As: 1-(2-bromo-4-nitrophenyl)ethanone, 2'-Bromo-4'-nitroacetophenone, Ethanone, 1-(2-bromo-4-nitrophenyl)-, 2-bromo-4-nitroacetophenone, 2-Brom-4-nitro-acetophenon
| Molecular Formula | C8H6BrNO3 |
|---|---|
| Molecular Weight | 242.95 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 62.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 242.95311 |
| Heavy Atoms | 13 |
| Complexity | 226.0 |
Chemical Identifiers
| CAS Number | 90004-93-6 |
|---|---|
| SMILES | CC(=O)C1=C(C=C(C=C1)[N+](=O)[O-])Br |
| InChIKey | GDJSHDDCLWALGA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(2-Bromo-4-nitrophenyl)ethanone (CAS 90004-93-6), with molecular formula C8H6BrNO3 and molecular weight 242.95 g/mol. IUPAC: 1-(2-bromo-4-nitrophenyl)ethanone.
Chemical Property Profile of 1-(2-Bromo-4-nitrophenyl)ethanone
Property Insights of 1-(2-Bromo-4-nitrophenyl)ethanone
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(2-Bromo-4-nitrophenyl)ethanone. The TPSA of 62.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(2-Bromo-4-nitrophenyl)ethanone. Following Lipinski's Rule of Five, 1-(2-Bromo-4-nitrophenyl)ethanone 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-(2-Bromo-4-nitrophenyl)ethanone?
The CAS number of 1-(2-Bromo-4-nitrophenyl)ethanone is 90004-93-6.
What is the molecular formula of 1-(2-Bromo-4-nitrophenyl)ethanone?
The molecular formula of 1-(2-Bromo-4-nitrophenyl)ethanone is C8H6BrNO3.
What is the molecular weight of 1-(2-Bromo-4-nitrophenyl)ethanone?
The molecular weight of 1-(2-Bromo-4-nitrophenyl)ethanone is 242.95 g/mol.
Where can I buy 1-(2-Bromo-4-nitrophenyl)ethanone?
You can request a quote for 1-(2-Bromo-4-nitrophenyl)ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2-Bromo-4-nitrophenyl)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-Bromo-4-nitrophenyl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.