Bis(4-nitrophenyl)methanone
TL;DR: Bis(4-nitrophenyl)methanone (CAS 111073-20-2) is a chemical compound with molecular formula C13H8N2O5 and molecular weight 272.04333 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
bis(4-nitrophenyl)methanone
Also Known As: bis(4-nitrophenyl)methanone, 4,4'-dinitrobenzophenone, Methanone,bis(4-nitrophenyl)-, Bis(4-nitrophenyl) ketone, NCIOpen2_002297
Application Areas
Top 5 of 10 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C13H8N2O5 |
| Molecular Weight | 272.04333 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 109.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 272.04333 Da |
| Heavy Atoms | 20 |
| Complexity | 349.0 |
| SMILES | C1=CC(=CC=C1C(=O)C2=CC=C(C=C2)[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | IRFCWUHTGYXRNR-UHFFFAOYSA-N |
Chemical Property Profile of Bis(4-nitrophenyl)methanone
Property Insights of Bis(4-nitrophenyl)methanone
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Bis(4-nitrophenyl)methanone. The TPSA of 109.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Bis(4-nitrophenyl)methanone. Following Lipinski's Rule of Five, Bis(4-nitrophenyl)methanone 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 Bis(4-nitrophenyl)methanone?
The CAS number of Bis(4-nitrophenyl)methanone is 111073-20-2.
What is the molecular formula of Bis(4-nitrophenyl)methanone?
The molecular formula of Bis(4-nitrophenyl)methanone is C13H8N2O5.
What is the molecular weight of Bis(4-nitrophenyl)methanone?
The molecular weight of Bis(4-nitrophenyl)methanone is 272.04333 g/mol.
Where can I buy Bis(4-nitrophenyl)methanone?
You can request a quote for Bis(4-nitrophenyl)methanone directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Bis(4-nitrophenyl)methanone?
Yes, CoreyChem provides custom synthesis services for Bis(4-nitrophenyl)methanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.