1-(6-Chloro-3-methyl-2-nitrophenyl)ethanone
TL;DR: 1-(6-Chloro-3-methyl-2-nitrophenyl)ethanone (CAS 31775-96-9) is a chemical compound with molecular formula C9H8ClNO3 and molecular weight 213.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(6-chloro-3-methyl-2-nitrophenyl)ethanone
Also Known As: 6'-Chloro-3'-methyl-2'-nitroacetophenone, 1-(6-chloro-3-methyl-2-nitrophenyl)ethanone, 1-(6-chloro-3-methyl-2-nitro-phenyl)ethanone
| Molecular Formula | C9H8ClNO3 |
|---|---|
| Molecular Weight | 213.02 g/mol |
| LogP | 2.75922 |
| Topological Polar Surface Area | 60.21 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 213.01927 |
| Heavy Atoms | 14 |
| Complexity | 375.76324 |
Chemical Identifiers
| CAS Number | 31775-96-9 |
|---|---|
| SMILES | CC1=C(C(=C(C=C1)Cl)C(=O)C)[N+](=O)[O-] |
Product Overview
1-(6-Chloro-3-methyl-2-nitrophenyl)ethanone (CAS 31775-96-9), with molecular formula C9H8ClNO3 and molecular weight 213.02 g/mol. IUPAC: 1-(6-chloro-3-methyl-2-nitrophenyl)ethanone.
Chemical Property Profile of 1-(6-Chloro-3-methyl-2-nitrophenyl)ethanone
Property Insights of 1-(6-Chloro-3-methyl-2-nitrophenyl)ethanone
The XLogP value of 2.75922 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(6-Chloro-3-methyl-2-nitrophenyl)ethanone. The TPSA of 60.21 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(6-Chloro-3-methyl-2-nitrophenyl)ethanone. Following Lipinski's Rule of Five, 1-(6-Chloro-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-(6-Chloro-3-methyl-2-nitrophenyl)ethanone?
The CAS number of 1-(6-Chloro-3-methyl-2-nitrophenyl)ethanone is 31775-96-9.
What is the molecular formula of 1-(6-Chloro-3-methyl-2-nitrophenyl)ethanone?
The molecular formula of 1-(6-Chloro-3-methyl-2-nitrophenyl)ethanone is C9H8ClNO3.
What is the molecular weight of 1-(6-Chloro-3-methyl-2-nitrophenyl)ethanone?
The molecular weight of 1-(6-Chloro-3-methyl-2-nitrophenyl)ethanone is 213.02 g/mol.
Where can I buy 1-(6-Chloro-3-methyl-2-nitrophenyl)ethanone?
You can request a quote for 1-(6-Chloro-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-(6-Chloro-3-methyl-2-nitrophenyl)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(6-Chloro-3-methyl-2-nitrophenyl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.