2-Chloro-4-fluoro-5-nitrobenzoate
TL;DR: 2-Chloro-4-fluoro-5-nitrobenzoate (CAS 114776-15-7) is a chemical compound with molecular formula C7H2ClFNO4- and molecular weight 217.96564 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-chloro-4-fluoro-5-nitrobenzoate
Also Known As: 2-Chloro-4-fluoro-5-nitrobenzoic acid, 2-chloro-4-fluoro-5-nitrobenzoate, 2-chloro-4-fluoro-5-nitro-benzoate, 2-Chloro-4-fluoro-5-nitro-benzoicacid
Technical Specifications
| Molecular Formula | C7H2ClFNO4- |
| Molecular Weight | 217.96564 g/mol |
| XLogP | 2.7 |
| Topological Polar Surface Area (TPSA) | 86.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 217.96564 Da |
| Heavy Atoms | 14 |
| Complexity | 251.0 |
| SMILES | C1=C(C(=CC(=C1[N+](=O)[O-])F)Cl)C(=O)[O-] |
| InChIKey | SYZKAFCPWNFONG-UHFFFAOYSA-M |
Chemical Property Profile of 2-Chloro-4-fluoro-5-nitrobenzoate
Property Insights of 2-Chloro-4-fluoro-5-nitrobenzoate
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Chloro-4-fluoro-5-nitrobenzoate. The TPSA of 86.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Chloro-4-fluoro-5-nitrobenzoate. Following Lipinski's Rule of Five, 2-Chloro-4-fluoro-5-nitrobenzoate has 0 hydrogen bond donor(s) and 5 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-4-fluoro-5-nitrobenzoate?
The CAS number of 2-Chloro-4-fluoro-5-nitrobenzoate is 114776-15-7.
What is the molecular formula of 2-Chloro-4-fluoro-5-nitrobenzoate?
The molecular formula of 2-Chloro-4-fluoro-5-nitrobenzoate is C7H2ClFNO4-.
What is the molecular weight of 2-Chloro-4-fluoro-5-nitrobenzoate?
The molecular weight of 2-Chloro-4-fluoro-5-nitrobenzoate is 217.96564 g/mol.
Where can I buy 2-Chloro-4-fluoro-5-nitrobenzoate?
You can request a quote for 2-Chloro-4-fluoro-5-nitrobenzoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Chloro-4-fluoro-5-nitrobenzoate?
Yes, CoreyChem provides custom synthesis services for 2-Chloro-4-fluoro-5-nitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.