4-[2-(Dichloroamino)-2-Methylpropoxy]-4-Oxobutanoic Acid

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Properties Simple | Detailed

Formula C8H13Cl2NO4
IUPAC Name 4-[2-(dichloroamino)-2-methyl-propoxy]-4-oxo-butanoic acid
Molecular Mass 258.099 g·mol−1
Heat of Formation -698.7 ± 16.7 kJ·mol−1
Dipole Moment 2.66 ± 1.08 D
Volume 280.68 Å 3
Surface Area 259.55 Å 2
HOMO Energy -10.39 ± 0.55 eV
LUMO Energy 1.76 ± eV
Point Group Symmetry C1
Synonyms
  • 4-[2-(dichloroamino)-2-methyl-propoxy]-4-keto-butyric acid
  • butanedioic acid, mono(2-(dichloroamino)-2-methylpropyl) ester
  • chloramine hemisuccinate
  • irx 1775
  • irx-1775
  • mono(2-(dichloroamino)-2-methylpropyl) butanedioate
CAS Number(s)
  • 82224-87-1
InChIKey LRKSLBIETDNAGI-UHFFFAOYSA-N
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Elements H C N O Cl