(2-Bromophenyl)(Isocyano)Methyl 4-Methylphenyl Sulfone

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Properties Simple | Detailed

Formula C15H13BrNO2S
IUPAC Name 1-bromo-2-[(r)-isocyano(p-tolylsulfonyl)methyl]benzene
Molecular Mass 351.238 g·mol−1
Heat of Formation 71.2 ± 16.7 kJ·mol−1
Dipole Moment 3.60 ± 1.08 D
Volume 351.95 Å 3
Surface Area 303.29 Å 2
HOMO Energy -9.54 ± 0.55 eV
LUMO Energy -0.89 ± eV
Point Group Symmetry C1
InChIKey FDHXCUCSERDBAT-OAHLLOKOSA-N
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Elements C H O N S Br