(2-Acetyl-3-nitrophenyl)methyl acetate
TL;DR: (2-Acetyl-3-nitrophenyl)methyl acetate (CAS 157989-00-9) is a chemical compound with molecular formula C11H11NO5 and molecular weight 237.06372 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2-acetyl-3-nitrophenyl)methyl acetate
Also Known As: 2'-(acetoxymethyl)-6'-nitroacetophenone, (2-acetyl-3-nitro-phenyl)methyl Acetate
Technical Specifications
| Molecular Formula | C11H11NO5 |
| Molecular Weight | 237.06372 g/mol |
| XLogP | 1.1 |
| Topological Polar Surface Area (TPSA) | 89.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 237.06372 Da |
| Heavy Atoms | 17 |
| Complexity | 322.0 |
| SMILES | CC(=O)C1=C(C=CC=C1[N+](=O)[O-])COC(=O)C |
| InChIKey | MKTPXZBOIHZXOI-UHFFFAOYSA-N |
Chemical Property Profile of (2-Acetyl-3-nitrophenyl)methyl acetate
Property Insights of (2-Acetyl-3-nitrophenyl)methyl acetate
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2-Acetyl-3-nitrophenyl)methyl acetate. The TPSA of 89.2 Ų falls within the moderate polarity range, balancing permeability and solubility for (2-Acetyl-3-nitrophenyl)methyl acetate. Following Lipinski's Rule of Five, (2-Acetyl-3-nitrophenyl)methyl acetate has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of (2-Acetyl-3-nitrophenyl)methyl acetate?
The CAS number of (2-Acetyl-3-nitrophenyl)methyl acetate is 157989-00-9.
What is the molecular formula of (2-Acetyl-3-nitrophenyl)methyl acetate?
The molecular formula of (2-Acetyl-3-nitrophenyl)methyl acetate is C11H11NO5.
What is the molecular weight of (2-Acetyl-3-nitrophenyl)methyl acetate?
The molecular weight of (2-Acetyl-3-nitrophenyl)methyl acetate is 237.06372 g/mol.
Where can I buy (2-Acetyl-3-nitrophenyl)methyl acetate?
You can request a quote for (2-Acetyl-3-nitrophenyl)methyl acetate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (2-Acetyl-3-nitrophenyl)methyl acetate?
Yes, CoreyChem provides custom synthesis services for (2-Acetyl-3-nitrophenyl)methyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.