3-Chloro-2-Oxopropyl Dihydrogen Phosphate

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Properties Simple | Detailed

Formula C3H6ClO5P
IUPAC Name (3-chloro-2-oxo-propyl) dihydrogen phosphate
Molecular Mass 188.504 g·mol−1
Heat of Formation -1211.4 ± 16.7 kJ·mol−1
Dipole Moment 5.84 ± 1.08 D
Volume 179.23 Å 3
Surface Area 186.01 Å 2
HOMO Energy -10.12 ± 0.55 eV
LUMO Energy -0.23 ± eV
Point Group Symmetry C1
Synonyms
  • (3-chloro-2-keto-propyl) dihydrogen phosphate
  • (3-chloro-2-oxopropyl) dihydrogen phosphate
  • 2-propanone, 1-chloro-3-(phosphonooxy)- (9ci)
  • 2-propanone, 1-chloro-3-hydroxy-, dihydrogen phosphate (8ci)
  • 2-propanone, 3-chloro-1-hydroxy-, phosphate (ester)
  • 3-chloro-1-hydroxypropan-2-one phosphate
  • 3-chloroacetal phosphate
  • chloroacetal phosphate
  • chloroacetol phosphate
  • chlorohydroxyacetone phosphate
CAS Number(s)
  • 23743-97-7
InChIKey OAZBZQJUELMYST-UHFFFAOYSA-N
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