16-alpha-Chloro-3-Methoxyoestra-1,3,5(10)-Trien-17-One
[CAS# 4091-75-2]

Identification

• Name: 16-alpha-Chloro-3-Methoxyoestra-1,3,5(10)-Trien-17-One
• Synonyms: 16-Alpha-Chloro-3-Methoxy-Estra-1,3,5,(10)-Trien-17-One; 16-Alpha-Chloro-3-Methoxyoestra-1,3,5(10)-Trien-17-One; 16Alpha-Chloroestrone Methyl Ether
• Molecular Formula: C₁₉H₂₃ClO₂
• Molecular Weight: 318.84
• CAS Registry Number: 4091-75-2
• EINECS: 223-835-4
• SMILES: [C@H]23[C@@H](C1=C(C=C(OC)C=C1)CC2)CC[C@]4([C@H]3C[C@@H](Cl)C4=O)C
• InChI: 1S/C19H23ClO2/c1-19-8-7-14-13-6-4-12(22-2)9-11(13)3-5-15(14)16(19)10-17(20)18(19)21/h4,6,9,14-17H,3,5,7-8,10H2,1-2H3/t14-,15-,16+,17-,19+/m1/s1
• InChIKey: UQIPVSBPFZSWGD-ILYVXUQDSA-N

Properties

• Density: 1.212g/cm³ (Cal.)
• Boiling point: 465.527°C at 760 mmHg (Cal.)
• Flash point: 175.938°C (Cal.)