2-Methyl-2-(4-{[(3,4,5-Trichlorophenyl)Carbamoyl]Amino}Phenoxy)Propanoic Acid

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Properties Simple | Detailed

Formula C17H15Cl3N2O4
IUPAC Name 2-methyl-2-[4-[(3,4,5-trichlorophenyl)carbamoylamino]phenoxy]propanoic acid
Molecular Mass 417.671 g·mol−1
Heat of Formation -637.7 ± 16.7 kJ·mol−1
Dipole Moment 6.21 ± 1.08 D
Volume 437.47 Å 3
Surface Area 387.89 Å 2
HOMO Energy -9.13 ± 0.55 eV
LUMO Energy -0.99 ± eV
Point Group Symmetry C1
Synonyms
  • 2-(4-(3,4,5-trichlorophenylureido)phenoxy)-2-methylpropionic acid
  • 2-methyl-2-(4-((((3,4,5-trichlorophenyl)amino)carbonyl)amino)phenoxy)propanoic acid
  • 2-methyl-2-[4-[(3,4,5-trichlorophenyl)carbamoylamino]phenoxy]propionic acid
  • 2-methyl-2-[4-[[oxo-[(3,4,5-trichlorophenyl)amino]methyl]amino]phenoxy]propanoic acid
  • l 345
  • l-345
  • l345
  • propanoic acid, 2-methyl-2-(4-((((3,4,5-trichlorophenyl)amino)carbonyl)amino)phenoxy)-
CAS Number(s)
  • 121809-82-3
InChIKey RETXRBKBFDJBQS-UHFFFAOYSA-N
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Elements H C N O Cl