4-Nitrophenyl 4-formylbenzoate
TL;DR: 4-Nitrophenyl 4-formylbenzoate (CAS 131266-90-5) is a chemical compound with molecular formula C14H9NO5 and molecular weight 271.04807 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(4-nitrophenyl) 4-formylbenzoate
Also Known As: 4-Nitrophenyl 4-formylbenzoate, (4-nitrophenyl) 4-formylbenzoate, 4-Nitrophenyl 4-formylbenzoate #, Benzoic acid, 4-formyl-, 4-nitrophenyl ester, 4- Nitrophenyl 4- formyl-benzoic Acid
Technical Specifications
| Molecular Formula | C14H9NO5 |
| Molecular Weight | 271.04807 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 89.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 271.04807 Da |
| Heavy Atoms | 20 |
| Complexity | 362.0 |
| SMILES | C1=CC(=CC=C1C=O)C(=O)OC2=CC=C(C=C2)[N+](=O)[O-] |
| InChIKey | DRPWQWRXUPSARG-UHFFFAOYSA-N |
Chemical Property Profile of 4-Nitrophenyl 4-formylbenzoate
Property Insights of 4-Nitrophenyl 4-formylbenzoate
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Nitrophenyl 4-formylbenzoate. The TPSA of 89.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Nitrophenyl 4-formylbenzoate. Following Lipinski's Rule of Five, 4-Nitrophenyl 4-formylbenzoate 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 4-Nitrophenyl 4-formylbenzoate?
The CAS number of 4-Nitrophenyl 4-formylbenzoate is 131266-90-5.
What is the molecular formula of 4-Nitrophenyl 4-formylbenzoate?
The molecular formula of 4-Nitrophenyl 4-formylbenzoate is C14H9NO5.
What is the molecular weight of 4-Nitrophenyl 4-formylbenzoate?
The molecular weight of 4-Nitrophenyl 4-formylbenzoate is 271.04807 g/mol.
Where can I buy 4-Nitrophenyl 4-formylbenzoate?
You can request a quote for 4-Nitrophenyl 4-formylbenzoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-Nitrophenyl 4-formylbenzoate?
Yes, CoreyChem provides custom synthesis services for 4-Nitrophenyl 4-formylbenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.