2-Bromoestradiol, (13S,17S)-2-Bromo-13-Methyl-7,8,9,11,12,13,14,15,16,17-Decahydro-6H-Cyclopenta[a]Phenanthrene-3,17-Diol
[CAS# 15833-07-5]

Identification

• Name: 2-Bromoestradiol, (13S,17S)-2-Bromo-13-Methyl-7,8,9,11,12,13,14,15,16,17-Decahydro-6H-Cyclopenta[a]Phenanthrene-3,17-Diol
• Synonyms: A4017/0171333; Eu-0074101; Nsc105460
• Molecular Formula: C₁₈H₂₃BrO₂
• Molecular Weight: 351.28
• CAS Registry Number: 15833-07-5
• SMILES: C1=C(Br)C(=CC4=C1C3C(C2C(C(O)CC2)(C)CC3)CC4)O
• InChI: 1S/C18H23BrO2/c1-18-7-6-11-12(14(18)4-5-17(18)21)3-2-10-8-16(20)15(19)9-13(10)11/h8-9,11-12,14,17,20-21H,2-7H2,1H3
• InChIKey: SORISAYAZBCIQH-UHFFFAOYSA-N

Properties

• Density: 1.412g/cm³ (Cal.)
• Boiling point: 447.338°C at 760 mmHg (Cal.)
• Flash point: 224.342°C (Cal.)