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

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Formula C17H13FN4O2
IUPAC Name 4-[[4-(2-fluoroanilino)pyrimidin-2-yl]amino]benzoic acid
Molecular Mass 324.309 g·mol−1
Heat of Formation -180.3 ± 16.7 kJ·mol−1
Dipole Moment 5.22 ± 1.08 D
Volume 360.46 Å 3
Surface Area 334.53 Å 2
HOMO Energy -8.96 ± 0.55 eV
LUMO Energy 2.06 ± eV
Point Group Symmetry C1
InChIKey DSRXYFSONVBAKS-UHFFFAOYSA-N
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