4,4'-[(2R,3S)-1-Bromo-2,3-Pentanediyl]Diphenol

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Properties Simple | Detailed

Formula C17H19BrO2
IUPAC Name 4-[(1s,2r)-3-bromo-1-ethyl-2-(4-hydroxyphenyl)propyl]phenol
Molecular Mass 335.236 g·mol−1
Heat of Formation -282.6 ± 16.7 kJ·mol−1
Dipole Moment 2.20 ± 1.08 D
Volume 365.76 Å 3
Surface Area 310.8 Å 2
HOMO Energy -9.03 ± 0.55 eV
LUMO Energy 2.91 ± eV
Point Group Symmetry C1
InChIKey DXBQUTUBYLSLOU-SJORKVTESA-N
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Elements H C O Br