4-(3-Chlorophenyl)-N-[4-(Trifluoromethyl)Phenyl]-2-Pyrimidinamine

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Properties Simple | Detailed

Formula C17H11ClF3N3
IUPAC Name 4-(3-chlorophenyl)-n-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine
Molecular Mass 349.738 g·mol−1
Heat of Formation -333.4 ± 16.7 kJ·mol−1
Dipole Moment 6.07 ± 1.08 D
Volume 371.35 Å 3
Surface Area 335.28 Å 2
HOMO Energy -9.21 ± 0.55 eV
LUMO Energy -1.28 ± eV
Point Group Symmetry C1
Synonyms
  • 4-(3-chlorophenyl)-n-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine
  • [4-(3-chlorophenyl)pyrimidin-2-yl]-[4-(trifluoromethyl)phenyl]amine
InChIKey XTKUZTBZRIJTFR-UHFFFAOYSA-N
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Elements H N F C Cl