2'-(4-Fluorophenyl)2'H-pregna-2,4-dien-20-yno(3,2c)pyrazol-11,17-diol

Base Information

• Chemical Name: 2'-(4-Fluorophenyl)2'H-pregna-2,4-dien-20-yno(3,2c)pyrazol-11,17-diol
• CAS No.: 98640-98-3
• Molecular Formula: C28H31FN2O2
• Molecular Weight: 446.5563
• DSSTox Substance ID: DTXSID90913150
• Mol file: 98640-98-3.mol

Synonyms:2'-(4-fluorophenyl)2'H-pregna-2,4-dien-20-yno(3,2c)pyrazol-11,17-diol;Win 44577;Win-44577

Chemical Property of 2'-(4-Fluorophenyl)2'H-pregna-2,4-dien-20-yno(3,2c)pyrazol-11,17-diol

Chemical Property:

• Vapor Pressure: 1.26E-14mmHg at 25°C
• Boiling Point: 587.1°Cat760mmHg
• Flash Point: 308.9°C
• Density: 1.32g/cm³
• XLogP3: 4.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 446.23695640
• Heavy Atom Count: 33
• Complexity: 890

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC12CC(C3C(C1CCC2(C#C)O)CCC4=CC5=C(CC34C)C=NN5C6=CC=C(C=C6)F)O
• Isomeric SMILES: C[C@]12C[C@@H]([C@H]3[C@H]([C@@H]1CC[C@]2(C#C)O)CCC4=CC5=C(C[C@]34C)C=NN5C6=CC=C(C=C6)F)O