(3,4-Dichloroanilino)(oxo)acetic acid
TL;DR: (3,4-Dichloroanilino)(oxo)acetic acid (CAS 13120-37-1) is a chemical compound with molecular formula C8H5Cl2NO3 and molecular weight 232.96465 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(3,4-dichloroanilino)-2-oxoacetic acid
Also Known As: (3,4-dichloroanilino)(oxo)acetic acid, (3,4-dichlorophenyl)carbamoylformic Acid, 2-(3,4-dichloroanilino)-2-oxoacetic acid, N-(3,4-dichlorophenyl)methanecarboxylic acid, 2-((3,4-dichlorophenyl)amino)-2-oxoacetic acid
Technical Specifications
| Molecular Formula | C8H5Cl2NO3 |
| Molecular Weight | 232.96465 g/mol |
| XLogP | 3.2 |
| Topological Polar Surface Area (TPSA) | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 232.96465 Da |
| Heavy Atoms | 14 |
| Complexity | 247.0 |
| SMILES | C1=CC(=C(C=C1NC(=O)C(=O)O)Cl)Cl |
| InChIKey | SWKJJZISAXATCK-UHFFFAOYSA-N |
Chemical Property Profile of (3,4-Dichloroanilino)(oxo)acetic acid
Property Insights of (3,4-Dichloroanilino)(oxo)acetic acid
The XLogP value of 3.2 indicates that (3,4-Dichloroanilino)(oxo)acetic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for (3,4-Dichloroanilino)(oxo)acetic acid. Following Lipinski's Rule of Five, (3,4-Dichloroanilino)(oxo)acetic acid has 2 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-Dichloroanilino)(oxo)acetic acid?
The CAS number of (3,4-Dichloroanilino)(oxo)acetic acid is 13120-37-1.
What is the molecular formula of (3,4-Dichloroanilino)(oxo)acetic acid?
The molecular formula of (3,4-Dichloroanilino)(oxo)acetic acid is C8H5Cl2NO3.
What is the molecular weight of (3,4-Dichloroanilino)(oxo)acetic acid?
The molecular weight of (3,4-Dichloroanilino)(oxo)acetic acid is 232.96465 g/mol.
Where can I buy (3,4-Dichloroanilino)(oxo)acetic acid?
You can request a quote for (3,4-Dichloroanilino)(oxo)acetic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (3,4-Dichloroanilino)(oxo)acetic acid?
Yes, CoreyChem provides custom synthesis services for (3,4-Dichloroanilino)(oxo)acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.