2-Bromo-9beta,11beta-epoxy-6beta-fluoro-16alpha,17,21-trihydroxypregna-1,4-diene-3,20-dione

Base Information

• Chemical Name: 2-Bromo-9beta,11beta-epoxy-6beta-fluoro-16alpha,17,21-trihydroxypregna-1,4-diene-3,20-dione
• CAS No.: 60864-70-2
• Molecular Formula: C21H24 Br F O6
• Molecular Weight: 471.3140632
• European Community (EC) Number: 262-499-3
• DSSTox Substance ID: DTXSID10976343
• Mol file: 60864-70-2.mol

Synonyms:EINECS 262-499-3;60864-70-2;2-Bromo-9beta,11beta-epoxy-6beta-fluoro-16alpha,17,21-trihydroxypregna-1,4-diene-3,20-dione;DTXSID10976343;2-Bromo-6-fluoro-16,17,21-trihydroxy-9,11-epoxypregna-1,4-diene-3,20-dione

Chemical Property of 2-Bromo-9beta,11beta-epoxy-6beta-fluoro-16alpha,17,21-trihydroxypregna-1,4-diene-3,20-dione

Chemical Property:

• Vapor Pressure: 1.41E-18mmHg at 25°C
• Boiling Point: 631.1°C at 760 mmHg
• Flash Point: 335.5°C
• PSA: 107.36000
• Density: 1.67g/cm³
• LogP: 1.35950
• XLogP3: 2
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 2
• Exact Mass: 470.07403
• Heavy Atom Count: 29
• Complexity: 902

Purity/Quality:

98%Min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC12CC3C4(O3)C(C1CC(C2(C(=O)CO)O)O)CC(C5=CC(=O)C(=CC45C)Br)F
• Isomeric SMILES: C[C@]12CC3C4(O3)[C@H]([C@@H]1C[C@H]([C@@]2(C(=O)CO)O)O)C[C@H](C5=CC(=O)C(=C[C@]45C)Br)F

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