3-[(4,7-Dichloro-2-Benzoxazolylmethyl)Amino]-5-Ethyl-6-Methylpyridin-2(1H)-One

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Properties Simple | Detailed

Formula C16H15Cl2N3O2
IUPAC Name 3-[(4,7-dichloro-1,3-benzoxazol-2-yl)methylamino]-5-ethyl-6-methyl-1h-pyridin-2-one
Molecular Mass 352.215 g·mol−1
Heat of Formation -93.2 ± 16.7 kJ·mol−1
Dipole Moment 9.27 ± 1.08 D
Volume 388.73 Å 3
Surface Area 353.86 Å 2
HOMO Energy -8.10 ± 0.55 eV
LUMO Energy -1.81 ± eV
Point Group Symmetry C1
Synonyms
  • 2(1h)-pyridinone, 3-(((4,7-dichloro-2-benzoxazolyl)methyl)amino)-5-ethyl-6-methyl-
  • 3-(((4,7-dichloro-1,3-benzoxazol-2-yl)methyl)amino)-5-ethyl-6-methylpyridin-2(1h)-one
  • 3-[(4,7-dichloro-1,3-benzoxazol-2-yl)methylamino]-5-ethyl-6-methyl-2-pyridone
  • 3-[(4,7-dichlorobenzoxazolylmethyl)amino]-5-ethyl-6-methylpyridin-2(1h)-one
  • l 697,661
  • l 697661
  • l-697,661
  • l-697661
  • l697,661
  • pyridinone
  • pyridinone deriv.
CAS Number(s)
  • 135525-78-9
InChIKey WHFRDXVXYMGAJD-UHFFFAOYSA-N
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Elements H C N O Cl