Pyrinuron

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Properties Simple | Detailed

Formula C13H12N4O3
IUPAC Name 1-(4-nitrophenyl)-3-(3-pyridylmethyl)urea
Molecular Mass 272.259 g·mol−1
Heat of Formation 1837.8 ± 16.7 kJ·mol−1
Dipole Moment 9.02 ± 1.08 D
Volume 227.26 Å 3
Surface Area 198.72 Å 2
HOMO Energy -10.35 ± 0.55 eV
LUMO Energy -0.70 ± eV
Point Group Symmetry C1
Synonyms
  • 1-(3-pyridylmethyl)-3-(4-nitrophenyl)urea
  • 1-(4-nitrophenyl)-3-(3-pyridylmethyl)urea
  • 1-(4-nitrophenyl)-n'-(3-pyridinylmethyl)urea
  • 3-(4-nitrophenyl)-1-(3-pyridylmethyl)urea
  • 3-(4-nitrophenyl)-1-(pyridin-3-ylmethyl)urea
  • 5-22-09-00313 (beilstein handbook reference)
  • brn 0490322
  • caswell no. 718b
  • dlp 787
  • dlp-87
  • einecs 258-626-7
  • epa pesticide chemical code 104501
  • hsdb 6460
  • n-(4-nitrophenyl)-n'-(3-pyridinylmethyl)urea
  • n-3-pyridylmethyl-n'-p-nitrophenylurea
  • one time
  • pyriminil
  • pyriminyl
  • pyrinuron
  • pyrinuron [ansi]
  • rh-787
  • urea, 1-nitrophenyl-3-(3-pyridylmethyl)-
  • urea, n-(4-nitrophenyl)-n'-(3-pyridinylmethyl)-
  • vacor
CAS Number(s)
  • 53558-25-1
  • 64060-28-2
InChIKey CLKZWXHKFXZIMA-UHFFFAOYSA-N
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