C22H28BrFO5

Base Information

• Chemical Name: C22H28BrFO5
• CAS No.: 60864-54-2
• Molecular Formula: C22H28 Br F O5
• Molecular Weight: 471.3571232
• DSSTox Substance ID: DTXSID20976339
• Mol file: 60864-54-2.mol

Synonyms:C22H28BrFO5;C22-H28-Br-F-O5;DTXSID20976339;9-Bromo-6-fluoro-11,17,21-trihydroxy-16-methylpregna-1,4-diene-3,20-dione

Chemical Property of C22H28BrFO5

Chemical Property:

• Vapor Pressure: 1.64E-17mmHg at 25°C
• Boiling Point: 611.6°C at 760 mmHg
• Flash Point: 323.7°C
• PSA: 94.83000
• Density: 1.52g/cm³
• LogP: 2.26910
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 470.11041
• Heavy Atom Count: 29
• Complexity: 841

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1CC2C3CC(C4=CC(=O)C=CC4(C3(C(CC2(C1(C(=O)CO)O)C)O)Br)C)F
• Isomeric SMILES: C[C@@H]1C[C@H]2[C@@H]3C[C@H](C4=CC(=O)C=C[C@@]4(C3([C@H](C[C@@]2([C@]1(C(=O)CO)O)C)O)Br)C)F

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