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

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Properties Simple | Detailed

Formula C14H16ClN3O3
IUPAC Name 5-chloro-4-[(3-ethoxy-4-methoxy-phenyl)methylamino]-1h-pyridazin-6-one
Molecular Mass 309.748 g·mol−1
Heat of Formation -267.5 ± 16.7 kJ·mol−1
Dipole Moment 5.37 ± 1.08 D
Volume 349.2 Å 3
Surface Area 325.0 Å 2
HOMO Energy -9.00 ± 0.55 eV
LUMO Energy -0.74 ± eV
Point Group Symmetry C1
Synonyms
  • 3(2h)-pyridazinone, 4-chloro-5-(((3-ethoxy-4-methoxyphenyl)methyl)amino)-
  • 4-chloro-5-(((3-ethoxy-4-methoxyphenyl)methyl)amino)-3(2h)-pyridazinone
  • 4-chloro-5-(3-ethoxy-4-methoxybenzylamino)-3-(2h)-pyridazinone
  • 4-chloro-5-[(3-ethoxy-4-methoxy-benzyl)amino]-2h-pyridazin-3-one
  • 4-chloro-5-[(3-ethoxy-4-methoxy-phenyl)methylamino]-2h-pyridazin-3-one
  • 4-chloro-5-[(3-ethoxy-4-methoxyphenyl)methylamino]-2h-pyridazin-3-one
  • nip 502
  • nip-502
CAS Number(s)
  • 108616-42-8
InChIKey MLZKFBZEYADEIN-UHFFFAOYSA-N
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Elements H C N O Cl