3-Chloro-1,2-Propanediyl Bis(3-Nitrobenzoate)

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Properties Simple | Detailed

Formula C17H13ClN2O8
IUPAC Name [(2r)-3-chloro-2-(3-nitrobenzoyl)oxy-propyl] 3-nitrobenzoate
Molecular Mass 408.747 g·mol−1
Heat of Formation -580.5 ± 16.7 kJ·mol−1
Dipole Moment 8.60 ± 1.08 D
Volume 427.33 Å 3
Surface Area 383.38 Å 2
HOMO Energy -11.12 ± 0.55 eV
LUMO Energy 1.23 ± eV
Point Group Symmetry C1
InChIKey KJOBVSGFGZSCKJ-HNNXBMFYSA-N
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Elements H C N O Cl