(17β)-3-Oxoestr-4-En-17-Yl Bromoacetate

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Properties Simple | Detailed

Formula C20H27BrO3
IUPAC Name [(8s,9r,10s,13s,14r,17s)-13-methyl-3-oxo-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-17-yl] 2-bromoacetate
Molecular Mass 395.331 g·mol−1
Heat of Formation -638.8 ± 16.7 kJ·mol−1
Dipole Moment 5.53 ± 1.08 D
Volume 432.46 Å 3
Surface Area 353.41 Å 2
HOMO Energy -9.76 ± 0.55 eV
LUMO Energy -0.35 ± eV
Point Group Symmetry C1
InChIKey LUHNMRYTDWWUNV-PHEZNFQVSA-N
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Elements H C O Br