6-[4-(Aminomethyl)-2-Fluorophenoxy]-2,1-Benzoxaborol-1(3H)-Ol

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Properties Simple | Detailed

Formula C14H13BFNO3
IUPAC Name [3-fluoro-4-[(1-hydroxy-3h-2,1-benzoxaborol-6-yl)oxy]phenyl]methanamine
Molecular Mass 273.067 g·mol−1
Heat of Formation -731.4 ± 16.7 kJ·mol−1
Dipole Moment 3.83 ± 1.08 D
Volume 311.65 Å 3
Surface Area 290.09 Å 2
HOMO Energy -9.18 ± 0.55 eV
LUMO Energy 2.18 ± eV
Point Group Symmetry C1
InChIKey TUWUQFIFQVYZSK-UHFFFAOYSA-N
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