16-Bromo-3-Hydroxyestra-1(10),2,4-Trien-17-One

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Formula C18H21BrO2
IUPAC Name (8s,9s,13s,14r,16s)-16-bromo-3-hydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6h-cyclopenta[a]phenanthren-17-one
Molecular Mass 349.262 g·mol−1
Heat of Formation -367.8 ± 16.7 kJ·mol−1
Dipole Moment 3.41 ± 1.08 D
Volume 367.86 Å 3
Surface Area 303.83 Å 2
HOMO Energy -8.99 ± 0.55 eV
LUMO Energy 2.83 ± eV
Point Group Symmetry C1
InChIKey ONEZAEJNFATWNE-OCABDXPQSA-N
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Elements H C O Br