2-[(3-Bromobenzyl)Amino]Ethanesulfonic Acid

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Formula C9H12BrNO3S
IUPAC Name 2-[(3-bromophenyl)methylamino]ethanesulfonic acid
Molecular Mass 294.165 g·mol−1
Heat of Formation -433.1 ± 16.7 kJ·mol−1
Dipole Moment 2.58 ± 1.08 D
Volume 276.9 Å 3
Surface Area 267.61 Å 2
HOMO Energy -9.66 ± 0.55 eV
LUMO Energy -0.73 ± eV
Point Group Symmetry C1
InChIKey ZPPIYSKMLNAVOI-UHFFFAOYSA-N
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Elements C H O N S Br