2-Bromo-6beta-fluoro-11alpha,17,21-trihydroxy-16beta-methylpregna-1,4-diene-3,20-dione 21-acetate

Base Information

• Chemical Name: 2-Bromo-6beta-fluoro-11alpha,17,21-trihydroxy-16beta-methylpregna-1,4-diene-3,20-dione 21-acetate
• CAS No.: 60864-74-6
• Molecular Formula: C24H30 Br F O6
• Molecular Weight: 513.3938032
• European Community (EC) Number: 262-502-8
• DSSTox Substance ID: DTXSID80209711
• Nikkaji Number: J268.345H
• Wikidata: Q83084103
• Mol file: 60864-74-6.mol

Synonyms:60864-74-6;EINECS 262-502-8;2-Bromo-6beta-fluoro-11alpha,17,21-trihydroxy-16beta-methylpregna-1,4-diene-3,20-dione 21-acetate;DTXSID80209711;21-Acetoxy-2-bromo-6beta-fluoro-11alpha,17-dihydroxy-16beta-methylpregna-1,4-diene-3,20-dione

Chemical Property of 2-Bromo-6beta-fluoro-11alpha,17,21-trihydroxy-16beta-methylpregna-1,4-diene-3,20-dione 21-acetate

Chemical Property:

• PSA: 100.90000
• LogP: 3.04500
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 4
• Exact Mass: 512.12098
• Heavy Atom Count: 32
• Complexity: 945

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: CC1CC2C3CC(C4=CC(=O)C(=CC4(C3C(CC2(C1(C(=O)COC(=O)C)O)C)O)C)Br)F
• Isomeric SMILES: C[C@H]1C[C@H]2[C@@H]3C[C@H](C4=CC(=O)C(=C[C@@]4([C@H]3[C@@H](C[C@@]2([C@]1(C(=O)COC(=O)C)O)C)O)C)Br)F

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