Methyl (4-chloro-2-nitrophenoxy)acetate
TL;DR: Methyl (4-chloro-2-nitrophenoxy)acetate (CAS 13212-52-7) is a chemical compound with molecular formula C9H8ClNO5 and molecular weight 245.0091 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 2-(4-chloro-2-nitrophenoxy)acetate
Also Known As: methyl (4-chloro-2-nitrophenoxy)acetate, methyl 2-(4-chloro-2-nitrophenoxy)acetate, methyl2-(4-chloro-2-nitrophenoxy)acetate, methyl 2-(4-chloro-2-nitro-phenoxy)acetate, acetic acid, (4-chloro-2-nitrophenoxy)-, methyl ester
Technical Specifications
| Molecular Formula | C9H8ClNO5 |
| Molecular Weight | 245.0091 g/mol |
| XLogP | 2.2 |
| Topological Polar Surface Area (TPSA) | 81.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 245.0091 Da |
| Heavy Atoms | 16 |
| Complexity | 267.0 |
| SMILES | COC(=O)COC1=C(C=C(C=C1)Cl)[N+](=O)[O-] |
| InChIKey | ISHRIJCPZRRMFE-UHFFFAOYSA-N |
Chemical Property Profile of Methyl (4-chloro-2-nitrophenoxy)acetate
Property Insights of Methyl (4-chloro-2-nitrophenoxy)acetate
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl (4-chloro-2-nitrophenoxy)acetate. The TPSA of 81.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl (4-chloro-2-nitrophenoxy)acetate. Following Lipinski's Rule of Five, Methyl (4-chloro-2-nitrophenoxy)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 Methyl (4-chloro-2-nitrophenoxy)acetate?
The CAS number of Methyl (4-chloro-2-nitrophenoxy)acetate is 13212-52-7.
What is the molecular formula of Methyl (4-chloro-2-nitrophenoxy)acetate?
The molecular formula of Methyl (4-chloro-2-nitrophenoxy)acetate is C9H8ClNO5.
What is the molecular weight of Methyl (4-chloro-2-nitrophenoxy)acetate?
The molecular weight of Methyl (4-chloro-2-nitrophenoxy)acetate is 245.0091 g/mol.
Where can I buy Methyl (4-chloro-2-nitrophenoxy)acetate?
You can request a quote for Methyl (4-chloro-2-nitrophenoxy)acetate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Methyl (4-chloro-2-nitrophenoxy)acetate?
Yes, CoreyChem provides custom synthesis services for Methyl (4-chloro-2-nitrophenoxy)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.