17-Iodovinyl-11-ethylestradiol

Base Information

• Chemical Name: 17-Iodovinyl-11-ethylestradiol
• CAS No.: 149046-54-8
• Molecular Formula: C22H29 I O2
• Molecular Weight: 452.37
• ChEMBL ID: CHEMBL1627586
• Mol file: 149046-54-8.mol

Synonyms:17-iodovinyl-11-ethylestradiol;17alpha-iodovinyl-11beta-ethylestradiol

Chemical Property of 17-Iodovinyl-11-ethylestradiol

Chemical Property:

• Vapor Pressure: 3.53E-12mmHg at 25°C
• Boiling Point: 532.7°Cat760mmHg
• Flash Point: 276°C
• PSA: 40.46000
• Density: 1.474g/cm³
• LogP: 5.56420
• XLogP3: 5.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 452.12123
• Heavy Atom Count: 25
• Complexity: 534

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC1CC2(C(CCC2(C=CI)O)C3C1C4=C(CC3)C=C(C=C4)O)C
• Isomeric SMILES: CC[C@H]1C[C@]2([C@@H](CC[C@]2(/C=C/I)O)[C@H]3[C@H]1C4=C(CC3)C=C(C=C4)O)C