3-Fluoro-4-{2-Hydroxy-3-[(2-Methyl-2-Propanyl)Amino]Propoxy}-1,2-Benzenediol

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Properties Simple | Detailed

Formula C13H20FNO4
IUPAC Name 4-[(2s)-3-(tert-butylamino)-2-hydroxy-propoxy]-3-fluoro-benzene-1,2-diol
Molecular Mass 273.301 g·mol−1
Heat of Formation -883.7 ± 16.7 kJ·mol−1
Dipole Moment 2.30 ± 1.08 D
Volume 330.59 Å 3
Surface Area 291.83 Å 2
HOMO Energy -8.71 ± 0.55 eV
LUMO Energy -0.32 ± eV
Point Group Symmetry C1
InChIKey NBOURJIOPAPXKD-QMMMGPOBSA-N
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Elements H C N O F