21-Fluoroprednisone

Base Information

• Chemical Name: 21-Fluoroprednisone
• CAS No.: 110558-69-5
• Molecular Formula: C21H25 F O4
• Molecular Weight: 0
• DSSTox Substance ID: DTXSID00911743
• Wikidata: Q82881922
• Mol file: 110558-69-5.mol

Synonyms:21-fluoroprednisone

Chemical Property of 21-Fluoroprednisone

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 91.67000
• Density: 1.28g/cm³
• LogP: 2.06140
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 359.176222
• Heavy Atom Count: 26
• Complexity: 768

Purity/Quality:

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC12CC(=O)C3C(C1CCC2(C(=O)CF)O)CCC4=CC(=O)C=CC34C
• Isomeric SMILES: C[C@]12CC(=O)[C@H]3[C@H]([C@@H]1CC[C@@]2(C(=O)C[18F])O)CCC4=CC(=O)C=C[C@]34C

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