2-Chloro-2-butenedioic acid
TL;DR: 2-Chloro-2-butenedioic acid (CAS 19071-21-7) is a chemical compound with molecular formula C4H3ClO4 and molecular weight 149.97198 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-chlorobut-2-enedioic acid
Also Known As: 2-Chloromaleic acid, 2-Chloro-2-butenedioic acid, Fumaric acid, chloro-, 2-chlorobut-2-enedioic acid, (Z)-2-chlorobut-2-enedioic acid
Application Areas
Top 5 of 20 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C4H3ClO4 |
| Molecular Weight | 149.97198 g/mol |
| XLogP | 0.4 |
| Topological Polar Surface Area (TPSA) | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 149.97198 Da |
| Heavy Atoms | 9 |
| Complexity | 171.0 |
| SMILES | C(=C(C(=O)O)Cl)C(=O)O |
| InChIKey | ZQHJVIHCDHJVII-UHFFFAOYSA-N |
Chemical Property Profile of 2-Chloro-2-butenedioic acid
Property Insights of 2-Chloro-2-butenedioic acid
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Chloro-2-butenedioic acid. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Chloro-2-butenedioic acid. Following Lipinski's Rule of Five, 2-Chloro-2-butenedioic acid has 2 hydrogen bond donor(s) and 4 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-Chloro-2-butenedioic acid?
The CAS number of 2-Chloro-2-butenedioic acid is 19071-21-7.
What is the molecular formula of 2-Chloro-2-butenedioic acid?
The molecular formula of 2-Chloro-2-butenedioic acid is C4H3ClO4.
What is the molecular weight of 2-Chloro-2-butenedioic acid?
The molecular weight of 2-Chloro-2-butenedioic acid is 149.97198 g/mol.
Where can I buy 2-Chloro-2-butenedioic acid?
You can request a quote for 2-Chloro-2-butenedioic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Chloro-2-butenedioic acid?
Yes, CoreyChem provides custom synthesis services for 2-Chloro-2-butenedioic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.