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

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Formula C17H13ClN4O2
IUPAC Name 4-[[4-(2-chloroanilino)pyrimidin-2-yl]amino]benzoic acid
Molecular Mass 340.764 g·mol−1
Heat of Formation -32.1 ± 16.7 kJ·mol−1
Dipole Moment 4.91 ± 1.08 D
Volume 374.73 Å 3
Surface Area 344.79 Å 2
HOMO Energy -8.98 ± 0.55 eV
LUMO Energy -1.25 ± eV
Point Group Symmetry C1
InChIKey BAZFHAGOCKJYHX-UHFFFAOYSA-N
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