2-Iodoestradiol
[CAS# 24381-12-2]

Identification

• Name: 2-Iodoestradiol
• Synonyms: Estra-1,3,5(10)-Triene-3,17-Diol, 2-Iodo-, (17Beta)-; Nci60_025348; 2-Iodoestradiol
• Molecular Formula: C₁₈H₂₃IO₂
• Molecular Weight: 398.28
• CAS Registry Number: 24381-12-2
• SMILES: [C@H]23[C@H]1[C@@]([C@@H](O)CC1)(CC[C@@H]2C4=C(CC3)C=C(O)C(=C4)I)C
• InChI: 1S/C18H23IO2/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/t11-,12+,14-,17-,18-/m0/s1
• InChIKey: JZYOQPBSKIOCIK-XSSYPUMDSA-N

Properties

• Density: 1.564g/cm³ (Cal.)
• Boiling point: 443.015°C at 760 mmHg (Cal.)
• Flash point: 221.728°C (Cal.)