4-[3-(4-Chlorophenyl)-2,1-Benzoxazol-5-Yl]-2-Pyrimidinamine

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Properties Simple | Detailed

Formula C17H11ClN4O
IUPAC Name 4-[3-(4-chlorophenyl)-2,1-benzoxazol-5-yl]pyrimidin-2-amine
Molecular Mass 322.748 g·mol−1
Heat of Formation 413.3 ± 16.7 kJ·mol−1
Dipole Moment 2.04 ± 1.08 D
Volume 351.88 Å 3
Surface Area 324.59 Å 2
HOMO Energy -8.97 ± 0.55 eV
LUMO Energy 1.34 ± eV
Point Group Symmetry C1
Synonyms
  • 10h-944
  • [4-[3-(4-chlorophenyl)anthranil-5-yl]pyrimidin-2-yl]amine
  • oprea1_582711
InChIKey AQVFETGXIRKVAQ-UHFFFAOYSA-N
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