2-[(2,4-Dichlorobenzoyl)Amino]-5-(2-Pyrimidinyloxy)Benzoic Acid

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Properties Simple | Detailed

Formula C18H11Cl2N3O4
IUPAC Name 2-[(2,4-dichlorobenzoyl)amino]-5-pyrimidin-2-yloxy-benzoic acid
Molecular Mass 404.204 g·mol−1
Heat of Formation -381.4 ± 16.7 kJ·mol−1
Dipole Moment 3.59 ± 1.08 D
Volume 418.9 Å 3
Surface Area 373.28 Å 2
HOMO Energy -9.22 ± 0.55 eV
LUMO Energy 1.81 ± eV
Point Group Symmetry C1
Synonyms
  • 2-[(2,4-dichlorobenzoyl)amino]-5-(pyrimidin-2-yloxy)benzoic acid
  • 2-[(2,4-dichlorobenzoyl)amino]-5-pyrimidin-2-yloxybenzoic acid
  • 2-[(2,4-dichlorophenyl)carbonylamino]-5-pyrimidin-2-yloxy-benzoic acid
  • 2-[[(2,4-dichlorophenyl)-oxomethyl]amino]-5-(2-pyrimidinyloxy)benzoic acid
  • 5-(2-pyrimidinyloxy)-2-benzoylaminobenzoic acid
  • plb
InChIKey VNDRRWBKNSHALL-UHFFFAOYSA-N
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Elements H C N O Cl