16α-Bromoestrone

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Properties Simple | Detailed

Formula C18H21BrO2
IUPAC Name (8r,9s,13s,14s,16r)-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 -347.4 ± 16.7 kJ·mol−1
Dipole Moment 3.05 ± 1.08 D
Volume 366.5 Å 3
Surface Area 305.03 Å 2
HOMO Energy -8.99 ± 0.55 eV
LUMO Energy -0.09 ± eV
Point Group Symmetry C1
Synonyms
  • 16-bromoestrone
  • estra-1,3,5(10)-trien-17-one, 16-bromo-3-hydroxy-, (16alpha)-
CAS Number(s)
  • 71765-95-2
InChIKey ONEZAEJNFATWNE-QFXBJFAPSA-N
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Elements H C O Br