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

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Properties Simple | Detailed

Formula C16H12BrClFNO4
IUPAC Name 2-[2-[(4-bromo-2-fluoro-phenyl)methylcarbamoyl]-5-chloro-phenoxy]acetic acid
Molecular Mass 416.626 g·mol−1
Heat of Formation -739.9 ± 16.7 kJ·mol−1
Dipole Moment 3.11 ± 1.08 D
Volume 397.46 Å 3
Surface Area 328.75 Å 2
HOMO Energy -9.57 ± 0.55 eV
LUMO Energy -1.04 ± eV
Point Group Symmetry C1
Synonyms
  • 2-[2-[(4-bromo-2-fluoro-benzyl)carbamoyl]-5-chloro-phenoxy]acetic acid
  • 2-[2-[(4-bromo-2-fluoro-phenyl)methylcarbamoyl]-5-chloro-phenoxy]ethanoic acid
  • 2-[2-[(4-bromo-2-fluorophenyl)methylcarbamoyl]-5-chlorophenoxy]acetic acid
  • 2-[2-[[(4-bromo-2-fluorophenyl)methylamino]-oxomethyl]-5-chlorophenoxy]acetic acid
InChIKey ZLIGBZRXAQNUFO-UHFFFAOYSA-N
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Elements C Cl H F O N Br