Acetic acid, 2-nitrophenyl ester
TL;DR: Acetic acid, 2-nitrophenyl ester (CAS 610-69-5) is a chemical compound with molecular formula C8H7NO4 and molecular weight 181.0375 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2-nitrophenyl) acetate
Also Known As: 2-NITROPHENYL ACETATE, o-Nitrophenyl acetate, 2-Nitrophenol acetate, (2-nitrophenyl) acetate, Acetic acid, 2-nitrophenyl ester
Application Areas
Top 5 of 13 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C8H7NO4 |
| Molecular Weight | 181.0375 g/mol |
| XLogP | 1.6 |
| Topological Polar Surface Area (TPSA) | 72.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 181.0375 Da |
| Heavy Atoms | 13 |
| Complexity | 211.0 |
| SMILES | CC(=O)OC1=CC=CC=C1[N+](=O)[O-] |
| InChIKey | MRCKRGSNLOHYRA-UHFFFAOYSA-N |
Product Description
Applications: Acetic acid, 2-nitrophenyl ester is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Acetic acid, 2-nitrophenyl ester (CAS 610-69-5) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
A heterocyclic building block supplied by CoreyChem, Acetic acid, 2-nitrophenyl ester (CAS 610-69-5) has the molecular formula C8H7NO4 and a molecular weight of 181.04 g/mol. It is also known as 2-NITROPHENYL ACETATE and o-Nitrophenyl acetate.
CoreyChem provides it with COA documentation, and custom synthesis from milligram to multi-kilogram scales is available on request. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of Acetic acid, 2-nitrophenyl ester
Property Insights of Acetic acid, 2-nitrophenyl ester
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acetic acid, 2-nitrophenyl ester. The TPSA of 72.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Acetic acid, 2-nitrophenyl ester. Following Lipinski's Rule of Five, Acetic acid, 2-nitrophenyl ester has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Acetic acid, 2-nitrophenyl ester?
The CAS number of Acetic acid, 2-nitrophenyl ester is 610-69-5.
What is the molecular formula of Acetic acid, 2-nitrophenyl ester?
The molecular formula of Acetic acid, 2-nitrophenyl ester is C8H7NO4.
What is the molecular weight of Acetic acid, 2-nitrophenyl ester?
The molecular weight of Acetic acid, 2-nitrophenyl ester is 181.0375 g/mol.
What are the applications of Acetic acid, 2-nitrophenyl ester?
Acetic acid, 2-nitrophenyl ester is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Acetic acid,...
Where can I buy Acetic acid, 2-nitrophenyl ester?
You can request a quote for Acetic acid, 2-nitrophenyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Acetic acid, 2-nitrophenyl ester?
Yes, CoreyChem provides custom synthesis services for Acetic acid, 2-nitrophenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.