[(2R,4R)-6-(2,4-Dichlorophenyl)-2,4-Dihydroxyhexyl]Phosphonic Acid

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Properties Simple | Detailed

Formula C12H17Cl2O5P
IUPAC Name [(2r,4r)-6-(2,4-dichlorophenyl)-2,4-dihydroxy-hexyl]phosphonic acid
Molecular Mass 343.140 g·mol−1
Heat of Formation -1277.7 ± 16.7 kJ·mol−1
Dipole Moment 3.52 ± 1.08 D
Volume 373.7 Å 3
Surface Area 334.08 Å 2
HOMO Energy -9.86 ± 0.55 eV
LUMO Energy -0.70 ± eV
Point Group Symmetry C1
Synonyms
  • 6-(2,4-dichlorophenyl)-erythro-2,4-dihydroxyhexylphosphonic acid
  • [(2r,4r)-6-(2,4-dichlorophenyl)-2,4-dihydroxy-hexyl]phosphonic acid
  • dcphhp
  • phosphoric acid, (6-(2,4-dichlorophenyl)-2,4-dihydroxyhexyl)-, (r-(r*,r*))-
CAS Number(s)
  • 141263-54-9
InChIKey GGAVPGOIUVCRHG-GHMZBOCLSA-N
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Elements P C H O Cl