1-(3-Methyl-2-nitrophenyl)ethanone
TL;DR: 1-(3-Methyl-2-nitrophenyl)ethanone (CAS 69976-71-2) is a chemical compound with molecular formula C9H9NO3 and molecular weight 179.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3-methyl-2-nitrophenyl)ethanone
Also Known As: 1-(3-Methyl-2-nitrophenyl)ethanone, 1-(3-methyl-2-nitrophenyl)ethan-1-one, Acetophenone, 3-methyl-2-nitro-, 1-(3-methyl-2-nitro-phenyl)-ethanone, 1-(3-Methyl-2-nitrophenyl)ethanone #
| Molecular Formula | C9H9NO3 |
|---|---|
| Molecular Weight | 179.06 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 62.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 179.05824 |
| Heavy Atoms | 13 |
| Complexity | 221.0 |
Chemical Identifiers
| CAS Number | 69976-71-2 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)C(=O)C)[N+](=O)[O-] |
| InChIKey | DUCHUNIEWUJFKM-UHFFFAOYSA-N |
Product Overview
1-(3-Methyl-2-nitrophenyl)ethanone (CAS 69976-71-2), with molecular formula C9H9NO3 and molecular weight 179.06 g/mol. IUPAC: 1-(3-methyl-2-nitrophenyl)ethanone.
Chemical Property Profile of 1-(3-Methyl-2-nitrophenyl)ethanone
Property Insights of 1-(3-Methyl-2-nitrophenyl)ethanone
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(3-Methyl-2-nitrophenyl)ethanone. The TPSA of 62.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(3-Methyl-2-nitrophenyl)ethanone. Following Lipinski's Rule of Five, 1-(3-Methyl-2-nitrophenyl)ethanone 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 1-(3-Methyl-2-nitrophenyl)ethanone?
The CAS number of 1-(3-Methyl-2-nitrophenyl)ethanone is 69976-71-2.
What is the molecular formula of 1-(3-Methyl-2-nitrophenyl)ethanone?
The molecular formula of 1-(3-Methyl-2-nitrophenyl)ethanone is C9H9NO3.
What is the molecular weight of 1-(3-Methyl-2-nitrophenyl)ethanone?
The molecular weight of 1-(3-Methyl-2-nitrophenyl)ethanone is 179.06 g/mol.
Where can I buy 1-(3-Methyl-2-nitrophenyl)ethanone?
You can request a quote for 1-(3-Methyl-2-nitrophenyl)ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(3-Methyl-2-nitrophenyl)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(3-Methyl-2-nitrophenyl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.