6-Chloro-5-Oxohexyl Dihydrogen Phosphate

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Properties Simple | Detailed

Formula C6H12ClO5P
IUPAC Name (6-chloro-5-oxo-hexyl) dihydrogen phosphate
Molecular Mass 230.583 g·mol−1
Heat of Formation -1302.8 ± 16.7 kJ·mol−1
Dipole Moment 2.35 ± 1.08 D
Volume 245.32 Å 3
Surface Area 245.32 Å 2
HOMO Energy -10.28 ± 0.55 eV
LUMO Energy 3.05 ± eV
Point Group Symmetry C1
Synonyms
  • (6-chloro-5-keto-hexyl) dihydrogen phosphate
  • (6-chloro-5-oxohexyl) dihydrogen phosphate
  • 1-chloro-2-ketohexanol-6-phosphate
  • 1-chloro-2-oxohexanol-6-phosphate
  • 1-ckhp
  • 2-hexanone, 1-chloro-6-(phosphonooxy)-
CAS Number(s)
  • 69120-17-8
InChIKey MRVPURQSDAPZES-UHFFFAOYSA-N
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Elements P C H O Cl