(17beta)-2-Chloroestra-1(10),2,4-triene-3,17-diol
[CAS# 88847-87-4]

Identification

• Name: (17beta)-2-Chloroestra-1(10),2,4-triene-3,17-diol
• Synonyms: 2-Chloroestradiol
• Molecular Formula: C₁₈H₂₃ClO₂
• Molecular Weight: 306.83
• CAS Registry Number: 88847-87-4
• SMILES: Clc1c(O)cc3c(c1)[C@H]2CC[C@@]4([C@@H](O)CC[C@H]4[C@@H]2CC3)C
• InChI: 1S/C18H23ClO2/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: GCBCRGZIRHMTNJ-XSSYPUMDSA-N

Properties

• Density: 1.254g/cm³ (Cal.)
• Boiling point: 445.962°C at 760 mmHg (Cal.)
• Flash point: 223.51°C (Cal.)