1-Chloroestradiol
[CAS# 95846-28-9]

Identification

• Name: 1-Chloroestradiol
• Synonyms: 1-Chloroestradiol; Estra-1,3,5(10)-Triene-3,17-Diol, 1-Chloro-, (17Beta)-
• Molecular Formula: C₁₈H₂₃ClO₂
• Molecular Weight: 306.83
• CAS Registry Number: 95846-28-9
• SMILES: [C@@H]23C1=C(C=C(C=C1CC[C@H]2[C@H]4[C@](CC3)([C@H](CC4)O)C)O)Cl
• InChI: 1S/C18H23ClO2/c1-18-7-6-13-12(14(18)4-5-16(18)21)3-2-10-8-11(20)9-15(19)17(10)13/h8-9,12-14,16,20-21H,2-7H2,1H3/t12-,13+,14+,16+,18+/m1/s1
• InChIKey: CKBZCMHPOSSDAN-PEEYHIECSA-N

Properties

• Density: 1.254g/cm³ (Cal.)
• Boiling point: 456.806°C at 760 mmHg (Cal.)
• Flash point: 230.068°C (Cal.)