2-Bromo-4'-nitroacetophenone
TL;DR: 2-Bromo-4'-nitroacetophenone (CAS 99-81-0) 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.
2-bromo-1-(4-nitrophenyl)ethanone
Also Known As: 2-Bromo-4'-nitroacetophenone, 4-Nitrophenacyl bromide, 2-Bromo-1-(4-nitrophenyl)ethanone, p-Nitrophenacyl bromide, 2-bromo-1-(4-nitrophenyl)ethan-1-one
| Molecular Formula | C8H6BrNO3 |
|---|---|
| Molecular Weight | 242.95 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 62.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 242.95311 |
| Heavy Atoms | 13 |
| Complexity | 206.0 |
Chemical Identifiers
| CAS Number | 99-81-0 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)CBr)[N+](=O)[O-] |
| InChIKey | MBUPVGIGAMCMBT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Bromo-4'-nitroacetophenone (CAS 99-81-0), with molecular formula C8H6BrNO3 and molecular weight 242.95 g/mol. IUPAC: 2-bromo-1-(4-nitrophenyl)ethanone.
Chemical Property Profile of 2-Bromo-4'-nitroacetophenone
Property Insights of 2-Bromo-4'-nitroacetophenone
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Bromo-4'-nitroacetophenone. The TPSA of 62.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Bromo-4'-nitroacetophenone. Following Lipinski's Rule of Five, 2-Bromo-4'-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 2-Bromo-4'-nitroacetophenone?
The CAS number of 2-Bromo-4'-nitroacetophenone is 99-81-0.
What is the molecular formula of 2-Bromo-4'-nitroacetophenone?
The molecular formula of 2-Bromo-4'-nitroacetophenone is C8H6BrNO3.
What is the molecular weight of 2-Bromo-4'-nitroacetophenone?
The molecular weight of 2-Bromo-4'-nitroacetophenone is 242.95 g/mol.
Where can I buy 2-Bromo-4'-nitroacetophenone?
You can request a quote for 2-Bromo-4'-nitroacetophenone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Bromo-4'-nitroacetophenone?
Yes, KEHONG BIO provides custom synthesis services for 2-Bromo-4'-nitroacetophenone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.