(2R,4R)-6-(2,4-Dichlorophenyl)-2,4-Dihydroxy-1-Hexanesulfonic Acid

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Properties Simple | Detailed

Formula C12H16Cl2O5S
IUPAC Name (2r,4r)-6-(2,4-dichlorophenyl)-2,4-dihydroxy-hexane-1-sulfonic acid
Molecular Mass 343.223 g·mol−1
Heat of Formation -1015.7 ± 16.7 kJ·mol−1
Dipole Moment 4.98 ± 1.08 D
Volume 362.27 Å 3
Surface Area 325.9 Å 2
HOMO Energy -9.98 ± 0.55 eV
LUMO Energy -0.80 ± eV
Point Group Symmetry C1
Synonyms
  • (2r,4r)-6-(2,4-dichlorophenyl)-2,4-dihydroxy-hexane-1-sulfonic acid
InChIKey PHLQGCATGWTWPZ-GHMZBOCLSA-N
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Elements H S C O Cl