4-Hydroxytoremifene

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Properties Simple | Detailed

Formula C26H28ClNO2
IUPAC Name 4-[(z)-4-chloro-1-[4-[2-(dimethylamino)ethoxy]phenyl]-2-phenyl-but-1-enyl]phenol
Molecular Mass 421.959 g·mol−1
Heat of Formation -118.7 ± 16.7 kJ·mol−1
Dipole Moment 5.03 ± 1.08 D
Volume 525.0 Å 3
Surface Area 442.77 Å 2
HOMO Energy -8.62 ± 0.55 eV
LUMO Energy -0.18 ± eV
Point Group Symmetry C1
Synonyms
  • (z)-4-(4-chloro-1-(4-(2-(dimethylamino)ethoxy)phenyl)-2-phenyl-1-butenyl)phenol
  • 4-[(z)-4-chloro-1-[4-(2-dimethylaminoethoxy)phenyl]-2-phenyl-but-1-enyl]phenol
  • 4-[(z)-4-chloro-1-[4-(2-dimethylaminoethoxy)phenyl]-2-phenylbut-1-enyl]phenol
  • phenol, 4-(4-chloro-1-(4-(2-(dimethylamino)ethoxy)phenyl)-2-phenyl-1-butenyl)-, (z)-
CAS Number(s)
  • 110503-62-3
InChIKey OIUCUUXSMIJSEB-QPLCGJKRSA-N
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Elements H C N O Cl