5-Chloro-2-iodobenzoic acid
TL;DR: 5-Chloro-2-iodobenzoic acid (CAS 13421-00-6) is a chemical compound with molecular formula C7H4ClIO2 and molecular weight 281.89444 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-chloro-2-iodobenzoic acid
Also Known As: 5-Chloro-2-iodobenzoic acid, 5-Chloro-2-iodo-benzoic acid, 2-Iodo-5-chlorobenzoic acid, Benzoic acid, 5-chloro-2-iodo-, 3-Chloro-6-iodobenzoic acid
Application Areas
Top 5 of 4 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C7H4ClIO2 |
| Molecular Weight | 281.89444 g/mol |
| XLogP | 2.7 |
| Topological Polar Surface Area (TPSA) | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 281.89444 Da |
| Heavy Atoms | 11 |
| Complexity | 163.0 |
| SMILES | C1=CC(=C(C=C1Cl)C(=O)O)I |
| InChIKey | NRPQWTVTBCRPEL-UHFFFAOYSA-N |
Chemical Property Profile of 5-Chloro-2-iodobenzoic acid
Property Insights of 5-Chloro-2-iodobenzoic acid
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Chloro-2-iodobenzoic acid. With a topological polar surface area (TPSA) of 37.3 Ų, 5-Chloro-2-iodobenzoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Chloro-2-iodobenzoic 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 5-Chloro-2-iodobenzoic acid?
The CAS number of 5-Chloro-2-iodobenzoic acid is 13421-00-6.
What is the molecular formula of 5-Chloro-2-iodobenzoic acid?
The molecular formula of 5-Chloro-2-iodobenzoic acid is C7H4ClIO2.
What is the molecular weight of 5-Chloro-2-iodobenzoic acid?
The molecular weight of 5-Chloro-2-iodobenzoic acid is 281.89444 g/mol.
Where can I buy 5-Chloro-2-iodobenzoic acid?
You can request a quote for 5-Chloro-2-iodobenzoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 5-Chloro-2-iodobenzoic acid?
Yes, CoreyChem provides custom synthesis services for 5-Chloro-2-iodobenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.