4-[(4-{[2-(Trifluoromethoxy)Phenyl]Amino}-2-Pyrimidinyl)Amino]Benzoic Acid

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Formula C18H13F3N4O3
IUPAC Name 4-[[4-[2-(trifluoromethoxy)anilino]pyrimidin-2-yl]amino]benzoic acid
Molecular Mass 390.316 g·mol−1
Heat of Formation -825.4 ± 16.7 kJ·mol−1
Dipole Moment 4.12 ± 1.08 D
Volume 410.47 Å 3
Surface Area 374.67 Å 2
HOMO Energy -9.04 ± 0.55 eV
LUMO Energy 1.94 ± eV
Point Group Symmetry C1
InChIKey VKIURNGMKFWIQX-UHFFFAOYSA-N
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