3-Nitrophenyl acetate
TL;DR: 3-Nitrophenyl acetate (CAS 1523-06-4) is a chemical compound with molecular formula C8H7NO4 and molecular weight 181.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-nitrophenyl) acetate
Also Known As: 3-NITROPHENYL ACETATE, (3-nitrophenyl) acetate, m-nitrophenyl acetate, m-Acetoxynitrobenzene, Acetic acid, 3-nitrophenyl ester
| Molecular Formula | C8H7NO4 |
|---|---|
| Molecular Weight | 181.04 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 72.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 181.0375 |
| Heavy Atoms | 13 |
| Complexity | 211.0 |
Chemical Identifiers
| CAS Number | 1523-06-4 |
|---|---|
| SMILES | CC(=O)OC1=CC=CC(=C1)[N+](=O)[O-] |
| InChIKey | HRMRLUUZPLAPAS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Nitrophenyl acetate (CAS 1523-06-4), with molecular formula C8H7NO4 and molecular weight 181.04 g/mol. IUPAC: (3-nitrophenyl) acetate.
Chemical Property Profile of 3-Nitrophenyl acetate
Property Insights of 3-Nitrophenyl acetate
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Nitrophenyl acetate. The TPSA of 72.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Nitrophenyl acetate. Following Lipinski's Rule of Five, 3-Nitrophenyl acetate 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
Frequently Asked Questions
What is the CAS number of 3-Nitrophenyl acetate?
The CAS number of 3-Nitrophenyl acetate is 1523-06-4.
What is the molecular formula of 3-Nitrophenyl acetate?
The molecular formula of 3-Nitrophenyl acetate is C8H7NO4.
What is the molecular weight of 3-Nitrophenyl acetate?
The molecular weight of 3-Nitrophenyl acetate is 181.04 g/mol.
Where can I buy 3-Nitrophenyl acetate?
You can request a quote for 3-Nitrophenyl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Nitrophenyl acetate?
Yes, KEHONG BIO provides custom synthesis services for 3-Nitrophenyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.