m-Nitroacetophenone
TL;DR: m-Nitroacetophenone (CAS 121-89-1) 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-(3-nitrophenyl)ethanone
Also Known As: 3'-Nitroacetophenone, 3-Nitroacetophenone, M-NITROACETOPHENONE, 1-(3-Nitrophenyl)ethanone, m-Acetylnitrobenzene
| Molecular Formula | C8H7NO3 |
|---|---|
| Molecular Weight | 165.04 g/mol |
| LogP | 1.4 |
| 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 | 81.1 °C |
| Boiling Point | 202.2 °C at 760 mmHg |
| Solubility | less than 0.1 mg/mL at 68 °F (NTP, 1992) |
| Vapor Pressure | 0.0024 [mmHg] |
Chemical Identifiers
| CAS Number | 121-89-1 |
|---|---|
| SMILES | CC(=O)C1=CC(=CC=C1)[N+](=O)[O-] |
| InChIKey | ARKIFHPFTHVKDT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 19 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
m-Nitroacetophenone (CAS 121-89-1), with molecular formula C8H7NO3 and molecular weight 165.04 g/mol. IUPAC: 1-(3-nitrophenyl)ethanone.
Chemical Property Profile of m-Nitroacetophenone
Property Insights of m-Nitroacetophenone
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for m-Nitroacetophenone. The TPSA of 62.9 Ų falls within the moderate polarity range, balancing permeability and solubility for m-Nitroacetophenone. Following Lipinski's Rule of Five, m-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 m-Nitroacetophenone?
The CAS number of m-Nitroacetophenone is 121-89-1.
What is the molecular formula of m-Nitroacetophenone?
The molecular formula of m-Nitroacetophenone is C8H7NO3.
What is the molecular weight of m-Nitroacetophenone?
The molecular weight of m-Nitroacetophenone is 165.04 g/mol.
Where can I buy m-Nitroacetophenone?
You can request a quote for m-Nitroacetophenone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for m-Nitroacetophenone?
Yes, KEHONG BIO provides custom synthesis services for m-Nitroacetophenone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.