(4-Chlorophenyl)acetic acid
TL;DR: (4-Chlorophenyl)acetic acid (CAS 1878-66-6) is a chemical compound with molecular formula C8H7ClO2 and molecular weight 170.01346 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(4-chlorophenyl)acetic acid
Also Known As: 4-Chlorophenylacetic acid, 2-(4-chlorophenyl)acetic acid, (4-Chlorophenyl)acetic acid, 4-Chlorobenzeneacetic acid, Benzeneacetic acid, 4-chloro-
Application Areas
Top 5 of 19 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C8H7ClO2 |
| Molecular Weight | 170.01346 g/mol |
| XLogP | 2.1 |
| Topological Polar Surface Area (TPSA) | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 170.01346 Da |
| Heavy Atoms | 11 |
| Complexity | 139.0 |
| SMILES | C1=CC(=CC=C1CC(=O)O)Cl |
| InChIKey | CDPKJZJVTHSESZ-UHFFFAOYSA-N |
Chemical Property Profile of (4-Chlorophenyl)acetic acid
Property Insights of (4-Chlorophenyl)acetic acid
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (4-Chlorophenyl)acetic acid. With a topological polar surface area (TPSA) of 37.3 Ų, (4-Chlorophenyl)acetic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (4-Chlorophenyl)acetic acid has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of (4-Chlorophenyl)acetic acid?
The CAS number of (4-Chlorophenyl)acetic acid is 1878-66-6.
What is the molecular formula of (4-Chlorophenyl)acetic acid?
The molecular formula of (4-Chlorophenyl)acetic acid is C8H7ClO2.
What is the molecular weight of (4-Chlorophenyl)acetic acid?
The molecular weight of (4-Chlorophenyl)acetic acid is 170.01346 g/mol.
Where can I buy (4-Chlorophenyl)acetic acid?
You can request a quote for (4-Chlorophenyl)acetic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (4-Chlorophenyl)acetic acid?
Yes, CoreyChem provides custom synthesis services for (4-Chlorophenyl)acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.