2-Bromo-N-[(1R,2R)-2-Hydroxy-1-(Hydroxymethyl)-2-(4-Nitrophenyl)Ethyl]Acetamide

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Properties Simple | Detailed

Formula C11H13BrN2O5
IUPAC Name 2-bromo-n-[(1r,2r)-2-hydroxy-1-(hydroxymethyl)-2-(4-nitrophenyl)ethyl]acetamide
Molecular Mass 333.135 g·mol−1
Heat of Formation -502.5 ± 16.7 kJ·mol−1
Dipole Moment 7.80 ± 1.08 D
Volume 323.07 Å 3
Surface Area 287.01 Å 2
HOMO Energy -10.20 ± 0.55 eV
LUMO Energy 1.69 ± eV
Point Group Symmetry C1
InChIKey HUQJLBDYKHDWTA-MWLCHTKSSA-N
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Elements H C O Br N