1-(4-Nitrophenyl)-3-{[3-(Trifluoromethyl)Phenyl]Amino}-1-Propanone

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Properties Simple | Detailed

Formula C16H13F3N2O3
IUPAC Name 1-(4-nitrophenyl)-3-[3-(trifluoromethyl)anilino]propan-1-one
Molecular Mass 338.281 g·mol−1
Heat of Formation -641.5 ± 16.7 kJ·mol−1
Dipole Moment 1.09 ± 1.08 D
Volume 367.23 Å 3
Surface Area 336.18 Å 2
HOMO Energy -8.97 ± 0.55 eV
LUMO Energy -1.97 ± eV
Point Group Symmetry C1
Synonyms
  • 1-(4-nitrophenyl)-3-[[3-(trifluoromethyl)phenyl]amino]propan-1-one
  • bim-0048566.p001
  • cbmicro_048434
CAS Number(s)
  • 5928-94-9
InChIKey IMYQHIFMQONSLO-UHFFFAOYSA-N
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