3,4-Dichlorobenzyloxyacetic acid
TL;DR: 3,4-Dichlorobenzyloxyacetic acid (CAS 13911-20-1) is a chemical compound with molecular formula C9H8Cl2O3 and molecular weight 233.98505 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[(3,4-dichlorophenyl)methoxy]acetic acid
Also Known As: 3,4-Dichlorobenzyloxyacetic acid, 3,4-dichlorobenzyloxyaceticacid, 3,4-DCBAA, (3,4-Dichlorophenyl)methoxyacetic acid, ((3,4-dichlorobenzyl)oxy)acetic acid
Application Areas
Top 5 of 1 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C9H8Cl2O3 |
| Molecular Weight | 233.98505 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 233.98505 Da |
| Heavy Atoms | 14 |
| Complexity | 198.0 |
| SMILES | C1=CC(=C(C=C1COCC(=O)O)Cl)Cl |
| InChIKey | MWZJIYRBTKZIPI-UHFFFAOYSA-N |
Chemical Property Profile of 3,4-Dichlorobenzyloxyacetic acid
Property Insights of 3,4-Dichlorobenzyloxyacetic acid
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,4-Dichlorobenzyloxyacetic acid. With a topological polar surface area (TPSA) of 46.5 Ų, 3,4-Dichlorobenzyloxyacetic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,4-Dichlorobenzyloxyacetic acid has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3,4-Dichlorobenzyloxyacetic acid?
The CAS number of 3,4-Dichlorobenzyloxyacetic acid is 13911-20-1.
What is the molecular formula of 3,4-Dichlorobenzyloxyacetic acid?
The molecular formula of 3,4-Dichlorobenzyloxyacetic acid is C9H8Cl2O3.
What is the molecular weight of 3,4-Dichlorobenzyloxyacetic acid?
The molecular weight of 3,4-Dichlorobenzyloxyacetic acid is 233.98505 g/mol.
Where can I buy 3,4-Dichlorobenzyloxyacetic acid?
You can request a quote for 3,4-Dichlorobenzyloxyacetic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3,4-Dichlorobenzyloxyacetic acid?
Yes, CoreyChem provides custom synthesis services for 3,4-Dichlorobenzyloxyacetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.