(4-Nitrophenyl) 3-(4-Bromo-3-Oxo-Butyl)Sulfonylpropanoate

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Properties Simple | Detailed

Formula C13H14BrNO7S
IUPAC Name (4-nitrophenyl) 3-(4-bromo-3-oxo-butyl)sulfonylpropanoate
Molecular Mass 408.222 g·mol−1
Heat of Formation -786.5 ± 16.7 kJ·mol−1
Dipole Moment 5.51 ± 1.08 D
Volume 394.74 Å 3
Surface Area 362.94 Å 2
HOMO Energy -10.62 ± 0.55 eV
LUMO Energy 1.52 ± eV
Point Group Symmetry C1
InChIKey PJPIMAISJQNWDZ-UHFFFAOYSA-N
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Elements C H O N S Br