2,4-Dinitro-benzoic acid 4-chloro-phenyl ester
TL;DR: 2,4-Dinitro-benzoic acid 4-chloro-phenyl ester (CAS 139361-28-7) is a chemical compound with molecular formula C13H7ClN2O6 and molecular weight 321.99927 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(4-chlorophenyl) 2,4-dinitrobenzoate
Also Known As: 4-Chlorophenyl 2,4-dinitrobenzoate, BAS 00486231, (4-chlorophenyl) 2,4-dinitrobenzoate, 4-Chlorophenyl 2,4-dinitrobenzoate #, 2,4-Dinitro-benzoic acid 4-chloro-phenyl ester
Technical Specifications
| Molecular Formula | C13H7ClN2O6 |
| Molecular Weight | 321.99927 g/mol |
| XLogP | 3.7 |
| Topological Polar Surface Area (TPSA) | 118.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 321.99927 Da |
| Heavy Atoms | 22 |
| Complexity | 441.0 |
| SMILES | C1=CC(=CC=C1OC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])Cl |
| InChIKey | GHZLAMDQZZBWFQ-UHFFFAOYSA-N |
Chemical Property Profile of 2,4-Dinitro-benzoic acid 4-chloro-phenyl ester
Property Insights of 2,4-Dinitro-benzoic acid 4-chloro-phenyl ester
The XLogP value of 3.7 indicates that 2,4-Dinitro-benzoic acid 4-chloro-phenyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 118.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,4-Dinitro-benzoic acid 4-chloro-phenyl ester. Following Lipinski's Rule of Five, 2,4-Dinitro-benzoic acid 4-chloro-phenyl ester has 0 hydrogen bond donor(s) and 6 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-Dinitro-benzoic acid 4-chloro-phenyl ester?
The CAS number of 2,4-Dinitro-benzoic acid 4-chloro-phenyl ester is 139361-28-7.
What is the molecular formula of 2,4-Dinitro-benzoic acid 4-chloro-phenyl ester?
The molecular formula of 2,4-Dinitro-benzoic acid 4-chloro-phenyl ester is C13H7ClN2O6.
What is the molecular weight of 2,4-Dinitro-benzoic acid 4-chloro-phenyl ester?
The molecular weight of 2,4-Dinitro-benzoic acid 4-chloro-phenyl ester is 321.99927 g/mol.
Where can I buy 2,4-Dinitro-benzoic acid 4-chloro-phenyl ester?
You can request a quote for 2,4-Dinitro-benzoic acid 4-chloro-phenyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2,4-Dinitro-benzoic acid 4-chloro-phenyl ester?
Yes, CoreyChem provides custom synthesis services for 2,4-Dinitro-benzoic acid 4-chloro-phenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.