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

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Properties Simple | Detailed

Formula C18H14N4O4
IUPAC Name 2-[[2-(4-carboxyanilino)pyrimidin-4-yl]amino]benzoic acid
Molecular Mass 350.328 g·mol−1
Heat of Formation -374.1 ± 16.7 kJ·mol−1
Dipole Moment 5.66 ± 1.08 D
Volume 381.89 Å 3
Surface Area 356.58 Å 2
HOMO Energy -8.99 ± 0.55 eV
LUMO Energy 1.84 ± eV
Point Group Symmetry C1
Synonyms
  • 2-[[2-[(4-carboxyphenyl)amino]-4-pyrimidinyl]amino]benzoic acid
  • chemdiv3_004948
  • oprea1_381491
InChIKey UIAQHDUGAOFVJM-UHFFFAOYSA-N
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