2,7-Dinitro-9-fluorenone
TL;DR: 2,7-Dinitro-9-fluorenone (CAS 31551-45-8) is a chemical compound with molecular formula C13H6N2O5 and molecular weight 270.02768 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,7-dinitrofluoren-9-one
Also Known As: 2,7-Dinitro-9-fluorenone, 2,7-Dinitrofluoren-9-one, 2,7-Dinitrofluorenone, 2,7-DINITRO-9H-FLUOREN-9-ONE, Fluoren-9-one, 2,7-dinitro-
Application Areas
Top 5 of 13 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C13H6N2O5 |
| Molecular Weight | 270.02768 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 109.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 270.02768 Da |
| Heavy Atoms | 20 |
| Complexity | 415.0 |
| Melting Point | 554 to 563 °F (NTP, 1992) |
| Vapor Pressure | 0.00000001 [mmHg] |
| Solubility | less than 0.1 mg/mL at 64 °F (NTP, 1992) |
| SMILES | C1=CC2=C(C=C1[N+](=O)[O-])C(=O)C3=C2C=CC(=C3)[N+](=O)[O-] |
| InChIKey | HDVGAFBXTXDYIB-UHFFFAOYSA-N |
Chemical Property Profile of 2,7-Dinitro-9-fluorenone
Property Insights of 2,7-Dinitro-9-fluorenone
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,7-Dinitro-9-fluorenone. The TPSA of 109.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,7-Dinitro-9-fluorenone. Following Lipinski's Rule of Five, 2,7-Dinitro-9-fluorenone 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 2,7-Dinitro-9-fluorenone?
The CAS number of 2,7-Dinitro-9-fluorenone is 31551-45-8.
What is the molecular formula of 2,7-Dinitro-9-fluorenone?
The molecular formula of 2,7-Dinitro-9-fluorenone is C13H6N2O5.
What is the molecular weight of 2,7-Dinitro-9-fluorenone?
The molecular weight of 2,7-Dinitro-9-fluorenone is 270.02768 g/mol.
Where can I buy 2,7-Dinitro-9-fluorenone?
You can request a quote for 2,7-Dinitro-9-fluorenone directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2,7-Dinitro-9-fluorenone?
Yes, CoreyChem provides custom synthesis services for 2,7-Dinitro-9-fluorenone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.