2-(2-Chlorophenoxy)-2-butenedioic acid
TL;DR: 2-(2-Chlorophenoxy)-2-butenedioic acid (CAS 166538-93-8) is a chemical compound with molecular formula C10H7ClO5 and molecular weight 241.9982 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(Z)-2-(2-chlorophenoxy)but-2-enedioic acid
Also Known As: 2-(2-chlorophenoxy)-2-butenedioic acid, (Z)-2-(2-chlorophenoxy)but-2-enedioic acid, AO-079/15259027
Technical Specifications
| Molecular Formula | C10H7ClO5 |
| Molecular Weight | 241.9982 g/mol |
| XLogP | 1.9 |
| Topological Polar Surface Area (TPSA) | 83.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 241.9982 Da |
| Heavy Atoms | 16 |
| Complexity | 312.0 |
| SMILES | C1=CC=C(C(=C1)O/C(=C\C(=O)O)/C(=O)O)Cl |
| InChIKey | PGNXFAPJRFCCPP-YVMONPNESA-N |
Chemical Property Profile of 2-(2-Chlorophenoxy)-2-butenedioic acid
Property Insights of 2-(2-Chlorophenoxy)-2-butenedioic acid
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(2-Chlorophenoxy)-2-butenedioic acid. The TPSA of 83.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(2-Chlorophenoxy)-2-butenedioic acid. Following Lipinski's Rule of Five, 2-(2-Chlorophenoxy)-2-butenedioic acid has 2 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 2-(2-Chlorophenoxy)-2-butenedioic acid?
The CAS number of 2-(2-Chlorophenoxy)-2-butenedioic acid is 166538-93-8.
What is the molecular formula of 2-(2-Chlorophenoxy)-2-butenedioic acid?
The molecular formula of 2-(2-Chlorophenoxy)-2-butenedioic acid is C10H7ClO5.
What is the molecular weight of 2-(2-Chlorophenoxy)-2-butenedioic acid?
The molecular weight of 2-(2-Chlorophenoxy)-2-butenedioic acid is 241.9982 g/mol.
Where can I buy 2-(2-Chlorophenoxy)-2-butenedioic acid?
You can request a quote for 2-(2-Chlorophenoxy)-2-butenedioic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-(2-Chlorophenoxy)-2-butenedioic acid?
Yes, CoreyChem provides custom synthesis services for 2-(2-Chlorophenoxy)-2-butenedioic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.