[5,5,5-Trichloro-1,3-Dihydroxy-3-(2,2,2-Trichloroethyl)-2-Pentanyl]Phosphonic Acid

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Properties Simple | Detailed

Formula C7H11Cl6O5P
IUPAC Name [(1r)-4,4,4-trichloro-2-hydroxy-1-(hydroxymethyl)-2-(2,2,2-trichloroethyl)butyl]phosphonic acid
Molecular Mass 418.851 g·mol−1
Heat of Formation -1462.4 ± 16.7 kJ·mol−1
Dipole Moment 1.47 ± 1.08 D
Volume 373.86 Å 3
Surface Area 293.96 Å 2
HOMO Energy -10.11 ± 0.55 eV
LUMO Energy -1.19 ± eV
Point Group Symmetry C1
InChIKey YZXBXARBRHOBOM-SCSAIBSYSA-N
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Elements P C H O Cl