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(16alpha,17beta)-16-Fluoroestra-1,3,5(10)-triene-3,17-diol
[CAS# 92817-10-2]

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Identification
Name (16alpha,17beta)-16-Fluoroestra-1,3,5(10)-triene-3,17-diol
Synonyms 16α-FLUORO-17β-ESTRADIOL
Molecular Structure CAS#: 92817-10-2, (16alpha,17beta)-16-Fluoroestra-1,3,5(10)-triene-3,17-diol
Molecular Formula C18H23FO2
Molecular Weight 290.37
CAS Registry Number 92817-10-2
SMILES C[C@]12CC[C@H]3[C@H]([C@@H]1C[C@H]([C@@H]2O)F)CCC4=C3C=CC(=C4)O
InChI 1S/C18H23FO2/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/h3,5,8,13-17,20-21H,2,4,6-7,9H2,1H3/t13-,14-,15+,16-,17+,18+/m1/s1
InChIKey KDLLNMRYZGUVMA-ZXXIGWHRSA-N
Properties
Density 1.2±0.1g/cm3 (Cal.)
Boiling point 453.6±45.0°C at 760 mmHg (Cal.)
Flash point 228.1±28.7°C (Cal.)
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