2-[(1S)-1-Methylhexyl]-4,6-Dinitro-Phenol

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Formula C13H18N2O5
IUPAC Name 2-[(1s)-1-methylhexyl]-4,6-dinitro-phenol
Molecular Mass 282.292 g·mol−1
Heat of Formation -307.7 ± 16.7 kJ·mol−1
Dipole Moment 4.64 ± 1.08 D
Volume 330.54 Å 3
Surface Area 309.44 Å 2
HOMO Energy -10.44 ± 0.55 eV
LUMO Energy 1.06 ± eV
Point Group Symmetry C1
InChIKey ZMUIZMVHFISISV-VIFPVBQESA-N
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