3-Amino-6-Methyl-1-[4-(Trifluoromethyl)Phenyl]-4(1H)-Pyridazinone

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Properties Simple | Detailed

Formula C12H10F3N3O
IUPAC Name 3-amino-6-methyl-1-[4-(trifluoromethyl)phenyl]pyridazin-4-one
Molecular Mass 269.223 g·mol−1
Heat of Formation 1413.3 ± 16.7 kJ·mol−1
Dipole Moment 2.71 ± 1.08 D
Volume 279.13 Å 3
Surface Area 270.01 Å 2
HOMO Energy -10.20 ± 0.55 eV
LUMO Energy -1.18 ± eV
Point Group Symmetry C1
Synonyms
  • 3-amino-1-(3-trifluoromethylphenyl)-6-methyl-1h-pyridazin-4-one
  • 3-amino-6-methyl-1-[4-(trifluoromethyl)phenyl]-4-pyridazinone
  • 3-amino-6-methyl-1-[4-(trifluoromethyl)phenyl]pyridazin-4-one
  • 4(1h)-pyridazinone, 3-amino-6-methyl-1-(3-(trifluoromethyl)phenyl)-
  • f 2692
  • f-2692
CAS Number(s)
  • 133220-91-4
InChIKey ZMXWZUGKYKOMHQ-UHFFFAOYSA-N
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