{2-[(4-Bromobenzyl)Carbamoyl]-5-Chlorophenoxy}Acetic Acid

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Properties Simple | Detailed

Formula C16H13BrClNO4
IUPAC Name 2-[2-[(4-bromophenyl)methylcarbamoyl]-5-chloro-phenoxy]acetic acid
Molecular Mass 398.636 g·mol−1
Heat of Formation -506.1 ± 16.7 kJ·mol−1
Dipole Moment 3.42 ± 1.08 D
Volume 394.23 Å 3
Surface Area 358.88 Å 2
HOMO Energy -9.60 ± 0.55 eV
LUMO Energy -0.90 ± eV
Point Group Symmetry C1
Synonyms
  • 2-[2-[(4-bromobenzyl)carbamoyl]-5-chloro-phenoxy]acetic acid
  • 2-[2-[(4-bromophenyl)methylcarbamoyl]-5-chloro-phenoxy]ethanoic acid
  • 2-[2-[[(4-bromophenyl)methylamino]-oxomethyl]-5-chlorophenoxy]acetic acid
InChIKey PAOIFRPAIJVWIK-UHFFFAOYSA-N
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Elements C Cl H O N Br