3-Nitrophenyl 4-chlorobenzoate
TL;DR: 3-Nitrophenyl 4-chlorobenzoate (CAS 150853-96-6) is a chemical compound with molecular formula C13H8ClNO4 and molecular weight 277.0142 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3-nitrophenyl) 4-chlorobenzoate
Also Known As: 3-nitrophenyl 4-chlorobenzoate, (3-nitrophenyl) 4-chlorobenzoate, p-Chlor-benzoesaeure-m-nitrophenylester, Benzoic acid,4-chloro-, 3-nitrophenyl ester
Technical Specifications
| Molecular Formula | C13H8ClNO4 |
| Molecular Weight | 277.0142 g/mol |
| XLogP | 4.1 |
| Topological Polar Surface Area (TPSA) | 72.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 277.0142 Da |
| Heavy Atoms | 19 |
| Complexity | 336.0 |
| SMILES | C1=CC(=CC(=C1)OC(=O)C2=CC=C(C=C2)Cl)[N+](=O)[O-] |
| InChIKey | AHUKGYSUIVJQER-UHFFFAOYSA-N |
Chemical Property Profile of 3-Nitrophenyl 4-chlorobenzoate
Property Insights of 3-Nitrophenyl 4-chlorobenzoate
The XLogP value of 4.1 indicates that 3-Nitrophenyl 4-chlorobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Nitrophenyl 4-chlorobenzoate. Following Lipinski's Rule of Five, 3-Nitrophenyl 4-chlorobenzoate has 0 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 3-Nitrophenyl 4-chlorobenzoate?
The CAS number of 3-Nitrophenyl 4-chlorobenzoate is 150853-96-6.
What is the molecular formula of 3-Nitrophenyl 4-chlorobenzoate?
The molecular formula of 3-Nitrophenyl 4-chlorobenzoate is C13H8ClNO4.
What is the molecular weight of 3-Nitrophenyl 4-chlorobenzoate?
The molecular weight of 3-Nitrophenyl 4-chlorobenzoate is 277.0142 g/mol.
Where can I buy 3-Nitrophenyl 4-chlorobenzoate?
You can request a quote for 3-Nitrophenyl 4-chlorobenzoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Nitrophenyl 4-chlorobenzoate?
Yes, CoreyChem provides custom synthesis services for 3-Nitrophenyl 4-chlorobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.