p-Nitroacetophenone
TL;DR: p-Nitroacetophenone (CAS 100-19-6) 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-(4-nitrophenyl)ethanone
Also Known As: 4'-Nitroacetophenone, p-Nitroacetophenone, 1-(4-Nitrophenyl)ethanone, 4-NITROACETOPHENONE, p-Acetylnitrobenzene
| Molecular Formula | C8H7NO3 |
|---|---|
| Molecular Weight | 165.04 g/mol |
| LogP | 1.5 |
| 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 | 189.0 |
| Melting Point | 176 to 82.2 °C |
| Boiling Point | 202.2 °C at 760 mmHg |
| Vapor Pressure | 0.0024 [mmHg] |
Chemical Identifiers
| CAS Number | 100-19-6 |
|---|---|
| SMILES | CC(=O)C1=CC=C(C=C1)[N+](=O)[O-] |
| InChIKey | YQYGPGKTNQNXMH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 18 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
p-Nitroacetophenone (CAS 100-19-6), with molecular formula C8H7NO3 and molecular weight 165.04 g/mol. IUPAC: 1-(4-nitrophenyl)ethanone.
Chemical Property Profile of p-Nitroacetophenone
Property Insights of p-Nitroacetophenone
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for p-Nitroacetophenone. The TPSA of 62.9 Ų falls within the moderate polarity range, balancing permeability and solubility for p-Nitroacetophenone. Following Lipinski's Rule of Five, p-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 p-Nitroacetophenone?
The CAS number of p-Nitroacetophenone is 100-19-6.
What is the molecular formula of p-Nitroacetophenone?
The molecular formula of p-Nitroacetophenone is C8H7NO3.
What is the molecular weight of p-Nitroacetophenone?
The molecular weight of p-Nitroacetophenone is 165.04 g/mol.
Where can I buy p-Nitroacetophenone?
You can request a quote for p-Nitroacetophenone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for p-Nitroacetophenone?
Yes, KEHONG BIO provides custom synthesis services for p-Nitroacetophenone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.