2-(4-Nitro-1H-Pyrazol-1-Yl)Ethanol

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Properties Simple | Detailed

Formula C5H7N3O3
IUPAC Name 2-(4-nitropyrazol-1-ium-2-id-1-yl)ethanol
Molecular Mass 157.127 g·mol−1
Heat of Formation -19.2 ± 16.7 kJ·mol−1
Dipole Moment 7.49 ± 1.08 D
Volume 173.35 Å 3
Surface Area 177.07 Å 2
HOMO Energy -10.53 ± 0.55 eV
LUMO Energy 2.33 ± eV
Point Group Symmetry C1
Synonyms
  • 1-hydroxyethyl-4-nitropyrazole
  • 1h-pyrazole-1-ethanol, 4-nitro-
  • 2-(4-nitro-1-pyrazolyl)ethanol
  • m&b 4998
  • m&b-4998
CAS Number(s)
  • 42027-81-6
InChIKey WHPWNPMESFLXQT-UHFFFAOYSA-N
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