2-Bromo-L-Histidine

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Properties Simple | Detailed

Formula C6H8BrN3O2
IUPAC Name (2s)-2-amino-3-(2-bromo-1h-imidazol-5-yl)propanoic acid
Molecular Mass 234.051 g·mol−1
Heat of Formation -229.5 ± 16.7 kJ·mol−1
Dipole Moment 3.05 ± 1.08 D
Volume 212.71 Å 3
Surface Area 205.9 Å 2
HOMO Energy -9.39 ± 0.55 eV
LUMO Energy -0.00 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-amino-3-(2-bromo-3h-imidazol-4-yl)propanoic acid
  • (2s)-2-amino-3-(2-bromo-3h-imidazol-4-yl)propionic acid
  • 2-bromohistidine
CAS Number(s)
  • 126663-36-3
InChIKey NLVOWJVMOQAYDW-BYPYZUCNSA-N
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Elements H C O Br N