{5-Chloro-2-[(3-Nitrobenzyl)Carbamoyl]Phenoxy}Acetic Acid

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Properties Simple | Detailed

Formula C16H13ClN2O6
IUPAC Name 2-[5-chloro-2-[(3-nitrophenyl)methylcarbamoyl]phenoxy]acetic acid
Molecular Mass 364.737 g·mol−1
Heat of Formation -604.3 ± 16.7 kJ·mol−1
Dipole Moment 2.00 ± 1.08 D
Volume 385.12 Å 3
Surface Area 320.89 Å 2
HOMO Energy -9.93 ± 0.55 eV
LUMO Energy -1.34 ± eV
Point Group Symmetry C1
Synonyms
  • 2-[5-chloro-2-[(3-nitrobenzyl)carbamoyl]phenoxy]acetic acid
  • 2-[5-chloro-2-[(3-nitrophenyl)methylcarbamoyl]phenoxy]ethanoic acid
  • 2-[5-chloro-2-[[(3-nitrophenyl)methylamino]-oxomethyl]phenoxy]acetic acid
InChIKey VABIMMIJVWNHFI-UHFFFAOYSA-N
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Elements H C N O Cl