6'-Fluoro-3'-methyl-2'-nitroacetophenone
TL;DR: 6'-Fluoro-3'-methyl-2'-nitroacetophenone (CAS 31706-22-6) is a chemical compound with molecular formula C9H8FNO3 and molecular weight 197.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(6-fluoro-3-methyl-2-nitrophenyl)ethanone
Also Known As: 6'-Fluoro-3'-methyl-2'-nitroacetophenone, 1-(6-fluoro-3-methyl-2-nitrophenyl)ethanone, 1-(6-fluoro-3-methyl-2-nitro-phenyl)ethanone
| Molecular Formula | C9H8FNO3 |
|---|---|
| Molecular Weight | 197.05 g/mol |
| LogP | 2.24492 |
| Topological Polar Surface Area | 60.21 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 197.04883 |
| Heavy Atoms | 14 |
| Complexity | 375.76324 |
Chemical Identifiers
| CAS Number | 31706-22-6 |
|---|---|
| SMILES | CC1=C(C(=C(C=C1)F)C(=O)C)[N+](=O)[O-] |
Product Overview
6'-Fluoro-3'-methyl-2'-nitroacetophenone (CAS 31706-22-6), with molecular formula C9H8FNO3 and molecular weight 197.05 g/mol. IUPAC: 1-(6-fluoro-3-methyl-2-nitrophenyl)ethanone.
Chemical Property Profile of 6'-Fluoro-3'-methyl-2'-nitroacetophenone
Property Insights of 6'-Fluoro-3'-methyl-2'-nitroacetophenone
The XLogP value of 2.24492 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6'-Fluoro-3'-methyl-2'-nitroacetophenone. The TPSA of 60.21 Ų falls within the moderate polarity range, balancing permeability and solubility for 6'-Fluoro-3'-methyl-2'-nitroacetophenone. Following Lipinski's Rule of Five, 6'-Fluoro-3'-methyl-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 6'-Fluoro-3'-methyl-2'-nitroacetophenone?
The CAS number of 6'-Fluoro-3'-methyl-2'-nitroacetophenone is 31706-22-6.
What is the molecular formula of 6'-Fluoro-3'-methyl-2'-nitroacetophenone?
The molecular formula of 6'-Fluoro-3'-methyl-2'-nitroacetophenone is C9H8FNO3.
What is the molecular weight of 6'-Fluoro-3'-methyl-2'-nitroacetophenone?
The molecular weight of 6'-Fluoro-3'-methyl-2'-nitroacetophenone is 197.05 g/mol.
Where can I buy 6'-Fluoro-3'-methyl-2'-nitroacetophenone?
You can request a quote for 6'-Fluoro-3'-methyl-2'-nitroacetophenone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6'-Fluoro-3'-methyl-2'-nitroacetophenone?
Yes, KEHONG BIO provides custom synthesis services for 6'-Fluoro-3'-methyl-2'-nitroacetophenone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.