2-Bromo-4-[(3R,4S)-4-(3-Bromo-4-Hydroxyphenyl)-3-Hexanyl]Phenol

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Properties Simple | Detailed

Formula C18H20Br2O2
IUPAC Name 2-bromo-4-[(1s,2r)-2-(3-bromo-4-hydroxy-phenyl)-1-ethyl-butyl]phenol
Molecular Mass 428.158 g·mol−1
Heat of Formation -280.0 ± 16.7 kJ·mol−1
Dipole Moment 2.35 ± 1.08 D
Volume 415.43 Å 3
Surface Area 349.34 Å 2
HOMO Energy -9.06 ± 0.55 eV
LUMO Energy -0.37 ± eV
Point Group Symmetry C1
Synonyms
  • 1-bromohexestrol
  • 2-bromo-4-[(1s,2r)-2-(3-bromo-4-hydroxy-phenyl)-1-ethyl-butyl]phenol
  • 2-bromo-4-[(1s,2r)-2-(3-bromo-4-hydroxyphenyl)-1-ethylbutyl]phenol
  • 2-bromo-4-[(3s,4r)-4-(3-bromo-4-hydroxy-phenyl)hexan-3-yl]phenol
  • 2-bromo-4-[(3s,4r)-4-(3-bromo-4-hydroxyphenyl)hexan-3-yl]phenol
  • phenol, 4,4'-(1,2-diethyl-1,2-ethanediyl)bis(2-bromo-, (r*,s*)-
CAS Number(s)
  • 74536-64-4
InChIKey NXTVRZYDIKGZQK-OKILXGFUSA-N
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Elements H C O Br