4-Chloro-3-nitrophenyl acetate
TL;DR: 4-Chloro-3-nitrophenyl acetate (CAS 39653-86-6) is a chemical compound with molecular formula C8H6ClNO4 and molecular weight 215.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-chloro-3-nitrophenyl) acetate
Also Known As: 4-Chloro-3-nitrophenyl acetate, 5-Acetoxy-2-chloronitrobenzene, (4-chloro-3-nitrophenyl) acetate, Acetic acid 3-nitro-4-chlorophenyl ester, Acetic acid 4-chloro-3-nitrophenyl ester
| Molecular Formula | C8H6ClNO4 |
|---|---|
| Molecular Weight | 215.00 g/mol |
| LogP | 2.1735 |
| Topological Polar Surface Area | 69.44 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 214.99854 |
| Heavy Atoms | 14 |
| Complexity | 390.9277 |
Chemical Identifiers
| CAS Number | 39653-86-6 |
|---|---|
| SMILES | CC(=O)OC1=CC(=C(C=C1)Cl)[N+](=O)[O-] |
Product Overview
4-Chloro-3-nitrophenyl acetate (CAS 39653-86-6), with molecular formula C8H6ClNO4 and molecular weight 215.00 g/mol. IUPAC: (4-chloro-3-nitrophenyl) acetate.
Chemical Property Profile of 4-Chloro-3-nitrophenyl acetate
Property Insights of 4-Chloro-3-nitrophenyl acetate
The XLogP value of 2.1735 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Chloro-3-nitrophenyl acetate. The TPSA of 69.44 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Chloro-3-nitrophenyl acetate. Following Lipinski's Rule of Five, 4-Chloro-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 4-Chloro-3-nitrophenyl acetate?
The CAS number of 4-Chloro-3-nitrophenyl acetate is 39653-86-6.
What is the molecular formula of 4-Chloro-3-nitrophenyl acetate?
The molecular formula of 4-Chloro-3-nitrophenyl acetate is C8H6ClNO4.
What is the molecular weight of 4-Chloro-3-nitrophenyl acetate?
The molecular weight of 4-Chloro-3-nitrophenyl acetate is 215.00 g/mol.
Where can I buy 4-Chloro-3-nitrophenyl acetate?
You can request a quote for 4-Chloro-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 4-Chloro-3-nitrophenyl acetate?
Yes, KEHONG BIO provides custom synthesis services for 4-Chloro-3-nitrophenyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.