4-Chloro-2-(1H-Pyrazol-3-Yl)Phenol

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Properties Simple | Detailed

Formula C9H7ClN2O
IUPAC Name 4-chloro-2-(3h-pyrazol-2-ium-3-ylium-5-yl)phenol
Molecular Mass 194.618 g·mol−1
Heat of Formation 50.6 ± 16.7 kJ·mol−1
Dipole Moment 4.55 ± 1.08 D
Volume 208.38 Å 3
Surface Area 204.3 Å 2
HOMO Energy -8.94 ± 0.55 eV
LUMO Energy 2.36 ± eV
Point Group Symmetry C1
InChIKey DMGLUMYOLOAXJY-UHFFFAOYSA-N
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