4-Bromo-5-[(3-Ethoxy-4-Methoxybenzyl)Amino]-3(2H)-Pyridazinone

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Properties Simple | Detailed

Formula C14H16BrN3O3
IUPAC Name 5-bromo-4-[(3-ethoxy-4-methoxy-phenyl)methylamino]-1h-pyridazin-6-one
Molecular Mass 354.199 g·mol−1
Heat of Formation -226.7 ± 16.7 kJ·mol−1
Dipole Moment 7.32 ± 1.08 D
Volume 354.12 Å 3
Surface Area 327.58 Å 2
HOMO Energy -8.84 ± 0.55 eV
LUMO Energy -0.65 ± eV
Point Group Symmetry C1
Synonyms
  • 3(2h)-pyridazinone, 4-bromo-5-(((3-ethoxy-4-methoxyphenyl)methyl)amino)-
  • 4-bromo-5-(3-ethoxy-4-methoxybenzylamino)-3(2h)-pyridazinone
  • 4-bromo-5-[(3-ethoxy-4-methoxy-benzyl)amino]-2h-pyridazin-3-one
  • 4-bromo-5-[(3-ethoxy-4-methoxy-phenyl)methylamino]-2h-pyridazin-3-one
  • nz 107
  • nz-107
CAS Number(s)
  • 107186-52-7
InChIKey KNIKAZNCSPYOED-UHFFFAOYSA-N
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