2'-Nitroacetophenone
TL;DR: 2'-Nitroacetophenone (CAS 577-59-3) is a chemical compound with molecular formula C8H7NO3 and molecular weight 165.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-nitrophenyl)ethanone
Also Known As: 2'-Nitroacetophenone, 1-(2-Nitrophenyl)ethanone, 2-Nitroacetophenone, 2-Acetylnitrobenzene, O-NITROACETOPHENONE
| Molecular Formula | C8H7NO3 |
|---|---|
| Molecular Weight | 165.04 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 62.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 165.04259 |
| Heavy Atoms | 12 |
| Complexity | 197.0 |
| Melting Point | 82 to 28.9 °C |
| Boiling Point | 157.8 °C at 16 mmHg |
| Solubility | Insoluble (NTP, 1992) |
| Flash Point | greater than 112.8 °C |
Chemical Identifiers
| CAS Number | 577-59-3 |
|---|---|
| SMILES | CC(=O)C1=CC=CC=C1[N+](=O)[O-] |
| InChIKey | SUGXZLKUDLDTKX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 18 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2'-Nitroacetophenone (CAS 577-59-3), with molecular formula C8H7NO3 and molecular weight 165.04 g/mol. IUPAC: 1-(2-nitrophenyl)ethanone.
Chemical Property Profile of 2'-Nitroacetophenone
Property Insights of 2'-Nitroacetophenone
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2'-Nitroacetophenone. The TPSA of 62.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 2'-Nitroacetophenone. Following Lipinski's Rule of Five, 2'-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'-Nitroacetophenone?
The CAS number of 2'-Nitroacetophenone is 577-59-3.
What is the molecular formula of 2'-Nitroacetophenone?
The molecular formula of 2'-Nitroacetophenone is C8H7NO3.
What is the molecular weight of 2'-Nitroacetophenone?
The molecular weight of 2'-Nitroacetophenone is 165.04 g/mol.
Where can I buy 2'-Nitroacetophenone?
You can request a quote for 2'-Nitroacetophenone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2'-Nitroacetophenone?
Yes, KEHONG BIO provides custom synthesis services for 2'-Nitroacetophenone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.