(3-Nitrophenyl) 2-chloroacetate
TL;DR: (3-Nitrophenyl) 2-chloroacetate (CAS 19921-01-8) 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.
(3-nitrophenyl) 2-chloroacetate
Also Known As: (3-nitrophenyl) 2-chloroacetate, 3-nitrophenyl chloroacetate
| Molecular Formula | C8H6ClNO4 |
|---|---|
| Molecular Weight | 215.00 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 72.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 214.99854 |
| Heavy Atoms | 14 |
| Complexity | 228.0 |
Chemical Identifiers
| CAS Number | 19921-01-8 |
|---|---|
| SMILES | C1=CC(=CC(=C1)OC(=O)CCl)[N+](=O)[O-] |
| InChIKey | FCBCGSWCYFFYFD-UHFFFAOYSA-N |
Product Overview
(3-Nitrophenyl) 2-chloroacetate (CAS 19921-01-8), with molecular formula C8H6ClNO4 and molecular weight 215.00 g/mol. IUPAC: (3-nitrophenyl) 2-chloroacetate.
Chemical Property Profile of (3-Nitrophenyl) 2-chloroacetate
Property Insights of (3-Nitrophenyl) 2-chloroacetate
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3-Nitrophenyl) 2-chloroacetate. The TPSA of 72.1 Ų falls within the moderate polarity range, balancing permeability and solubility for (3-Nitrophenyl) 2-chloroacetate. Following Lipinski's Rule of Five, (3-Nitrophenyl) 2-chloroacetate 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) 2-chloroacetate?
The CAS number of (3-Nitrophenyl) 2-chloroacetate is 19921-01-8.
What is the molecular formula of (3-Nitrophenyl) 2-chloroacetate?
The molecular formula of (3-Nitrophenyl) 2-chloroacetate is C8H6ClNO4.
What is the molecular weight of (3-Nitrophenyl) 2-chloroacetate?
The molecular weight of (3-Nitrophenyl) 2-chloroacetate is 215.00 g/mol.
Where can I buy (3-Nitrophenyl) 2-chloroacetate?
You can request a quote for (3-Nitrophenyl) 2-chloroacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3-Nitrophenyl) 2-chloroacetate?
Yes, KEHONG BIO provides custom synthesis services for (3-Nitrophenyl) 2-chloroacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.