2,4-Dichloro-5-fluoro-3-nitrobenzoate
TL;DR: 2,4-Dichloro-5-fluoro-3-nitrobenzoate (CAS 106809-14-7) is a chemical compound with molecular formula C7HCl2FNO4- and molecular weight 251.92667 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,4-dichloro-5-fluoro-3-nitrobenzoate
Also Known As: 2,4-dichloro-5-fluoro-3-nitrobenzoate, 2,4-Dichloro-5-fluoro-3-nitrobenzoic acid
Technical Specifications
| Molecular Formula | C7HCl2FNO4- |
| Molecular Weight | 251.92667 g/mol |
| XLogP | 3.3 |
| Topological Polar Surface Area (TPSA) | 86.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 251.92667 Da |
| Heavy Atoms | 15 |
| Complexity | 279.0 |
| SMILES | C1=C(C(=C(C(=C1F)Cl)[N+](=O)[O-])Cl)C(=O)[O-] |
| InChIKey | PCSAPCNEJUEIGU-UHFFFAOYSA-M |
Chemical Property Profile of 2,4-Dichloro-5-fluoro-3-nitrobenzoate
Property Insights of 2,4-Dichloro-5-fluoro-3-nitrobenzoate
The XLogP value of 3.3 indicates that 2,4-Dichloro-5-fluoro-3-nitrobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,4-Dichloro-5-fluoro-3-nitrobenzoate. Following Lipinski's Rule of Five, 2,4-Dichloro-5-fluoro-3-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 2,4-Dichloro-5-fluoro-3-nitrobenzoate?
The CAS number of 2,4-Dichloro-5-fluoro-3-nitrobenzoate is 106809-14-7.
What is the molecular formula of 2,4-Dichloro-5-fluoro-3-nitrobenzoate?
The molecular formula of 2,4-Dichloro-5-fluoro-3-nitrobenzoate is C7HCl2FNO4-.
What is the molecular weight of 2,4-Dichloro-5-fluoro-3-nitrobenzoate?
The molecular weight of 2,4-Dichloro-5-fluoro-3-nitrobenzoate is 251.92667 g/mol.
Where can I buy 2,4-Dichloro-5-fluoro-3-nitrobenzoate?
You can request a quote for 2,4-Dichloro-5-fluoro-3-nitrobenzoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2,4-Dichloro-5-fluoro-3-nitrobenzoate?
Yes, CoreyChem provides custom synthesis services for 2,4-Dichloro-5-fluoro-3-nitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.