Hexyl 2,5,7-trinitro-9-oxofluorene-4-carboxylate

Base Information

• Chemical Name: Hexyl 2,5,7-trinitro-9-oxofluorene-4-carboxylate
• CAS No.: 62901-53-5
• Molecular Formula: C20H17N3O9
• Molecular Weight: 443.36400
• DSSTox Substance ID: DTXSID60379562
• Wikidata: Q82169425

Synonyms:62901-53-5;9H-Fluorene-4-carboxylic acid, 2,5,7-trinitro-9-oxo-, hexyl ester;hexyl 2,5,7-trinitro-9-oxofluorene-4-carboxylate;DTXSID60379562;GPFNVXACSOQIPP-UHFFFAOYSA-N;hexyl 2,5,7-trinitro-9-oxo-9H-fluorene-4-carboxylate

Chemical Property of Hexyl 2,5,7-trinitro-9-oxofluorene-4-carboxylate

Chemical Property:

• Boiling Point: 647.6±55.0 °C(Predicted)
• PSA: 180.83000
• Density: 1.474±0.06 g/cm3(Predicted)
• LogP: 5.92930
• XLogP3: 4.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 7
• Exact Mass: 443.09647913
• Heavy Atom Count: 32
• Complexity: 772

Purity/Quality:

Safty Information:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCOC(=O)C1=CC(=CC2=C1C3=C(C2=O)C=C(C=C3[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

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