N-(2-Chlorophenyl)-4-(1H-Pyrrol-1-Yl)-1,3,5-Triazin-2-Amine

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Properties Simple | Detailed

Formula C13H10ClN5
IUPAC Name n-(2-chlorophenyl)-4-(2h-pyrrol-1-ium-2-ylium-1-yl)-1,3,5-triazin-2-amine
Molecular Mass 271.705 g·mol−1
Heat of Formation 423.6 ± 16.7 kJ·mol−1
Dipole Moment 2.88 ± 1.08 D
Volume 298.44 Å 3
Surface Area 282.52 Å 2
HOMO Energy -9.36 ± 0.55 eV
LUMO Energy -1.23 ± eV
Point Group Symmetry C1
Synonyms
  • (2-chlorophenyl)-(4-pyrrol-1-yl-s-triazin-2-yl)amine
  • 12w-0938
  • n-(2-chlorophenyl)-4-(1-pyrrolyl)-1,3,5-triazin-2-amine
  • n-(2-chlorophenyl)-4-pyrrol-1-yl-1,3,5-triazin-2-amine
InChIKey OQHYTNFJMHVUCY-UHFFFAOYSA-N
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Elements H C N Cl