2-Bromo-3-(1H-Imidazol-4-Yl)Propanoic Acid

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Properties Simple | Detailed

Formula C6H7BrN2O2
IUPAC Name (2s)-2-bromo-3-imidazol-3-ium-4-ylium-4-yl-propanoic acid
Molecular Mass 219.036 g·mol−1
Heat of Formation -266.3 ± 16.7 kJ·mol−1
Dipole Moment 3.10 ± 1.08 D
Volume 193.02 Å 3
Surface Area 188.83 Å 2
HOMO Energy -9.55 ± 0.55 eV
LUMO Energy 2.26 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-bromo-3-(3h-imidazol-4-yl)propanoic acid
  • (2s)-2-bromo-3-(3h-imidazol-4-yl)propionic acid
InChIKey CRTWOYOCILXSSX-YFKPBYRVSA-N
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Elements H C O Br N