16-Bromoestrone
[CAS# 71765-95-2]

Identification

• Name: 16-Bromoestrone
• Synonyms: 16-Bromoestrone; 16Alpha-Bromoestrone; Estra-1,3,5(10)-Trien-17-One, 16-Bromo-3-Hydroxy-, (16Alpha)-
• Molecular Formula: C₁₈H₂₁BrO₂
• Molecular Weight: 349.27
• CAS Registry Number: 71765-95-2
• SMILES: [C@@H]23CCC1=C(C=CC(=C1)O)[C@H]2CC[C@]4([C@H]3C[C@H](C4=O)Br)C
• InChI: 1S/C18H21BrO2/c1-18-7-6-13-12-5-3-11(20)8-10(12)2-4-14(13)15(18)9-16(19)17(18)21/h3,5,8,13-16,20H,2,4,6-7,9H2,1H3/t13-,14-,15+,16-,18+/m1/s1
• InChIKey: ONEZAEJNFATWNE-QFXBJFAPSA-N

Properties

• Density: 1.417g/cm³ (Cal.)
• Boiling point: 481.242°C at 760 mmHg (Cal.)
• Flash point: 244.847°C (Cal.)