![2-[2-(Chloromethyl)-4-nitrophenoxy]acetic acid structure](/static/products/5513/5513-42-8.webp)
2-[2-(Chloromethyl)-4-nitrophenoxy]acetic acid
TL;DR: 2-[2-(Chloromethyl)-4-nitrophenoxy]acetic acid (CAS 5513-42-8) is a chemical compound with molecular formula C9H8ClNO5 and molecular weight 245.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(chloromethyl)-4-nitrophenoxy]acetic acid
Also Known As: 2-[2-(chloromethyl)-4-nitrophenoxy]acetic acid, [2-(Chloromethyl)-4-nitrophenoxy]acetic acid, 2-[2-(chloromethyl)-4-nitro-phenoxy]acetic Acid
| Molecular Formula | C9H8ClNO5 |
|---|---|
| Molecular Weight | 245.01 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 92.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 245.0091 |
| Heavy Atoms | 16 |
| Complexity | 267.0 |
Chemical Identifiers
| CAS Number | 5513-42-8 |
|---|---|
| SMILES | C1=CC(=C(C=C1[N+](=O)[O-])CCl)OCC(=O)O |
| InChIKey | BITNKBOUFJXLJF-UHFFFAOYSA-N |
Product Overview
2-[2-(Chloromethyl)-4-nitrophenoxy]acetic acid (CAS 5513-42-8), with molecular formula C9H8ClNO5 and molecular weight 245.01 g/mol. IUPAC: 2-[2-(chloromethyl)-4-nitrophenoxy]acetic acid.
Chemical Property Profile of 2-[2-(Chloromethyl)-4-nitrophenoxy]acetic acid
Property Insights of 2-[2-(Chloromethyl)-4-nitrophenoxy]acetic acid
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[2-(Chloromethyl)-4-nitrophenoxy]acetic acid. The TPSA of 92.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[2-(Chloromethyl)-4-nitrophenoxy]acetic acid. Following Lipinski's Rule of Five, 2-[2-(Chloromethyl)-4-nitrophenoxy]acetic acid has 1 hydrogen bond donor(s) and 5 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 2-[2-(Chloromethyl)-4-nitrophenoxy]acetic acid?
The CAS number of 2-[2-(Chloromethyl)-4-nitrophenoxy]acetic acid is 5513-42-8.
What is the molecular formula of 2-[2-(Chloromethyl)-4-nitrophenoxy]acetic acid?
The molecular formula of 2-[2-(Chloromethyl)-4-nitrophenoxy]acetic acid is C9H8ClNO5.
What is the molecular weight of 2-[2-(Chloromethyl)-4-nitrophenoxy]acetic acid?
The molecular weight of 2-[2-(Chloromethyl)-4-nitrophenoxy]acetic acid is 245.01 g/mol.
Where can I buy 2-[2-(Chloromethyl)-4-nitrophenoxy]acetic acid?
You can request a quote for 2-[2-(Chloromethyl)-4-nitrophenoxy]acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[2-(Chloromethyl)-4-nitrophenoxy]acetic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-[2-(Chloromethyl)-4-nitrophenoxy]acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.