1,4-Anhydro-2-Bromo-2,3,5-Trideoxy-4-(2,4-Dichlorophenyl)-5-(1H-1,2,4-Triazol-1-Yl)-D-Erythro-Pentitol

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Formula C13H12BrCl2N3O
IUPAC Name 1-[[(2r,4r)-4-bromo-2-(2,4-dichlorophenyl)tetrahydrofuran-2-yl]methyl]-4-aza-1-azonia-2-azanidacyclopenta-3,5-diene
Molecular Mass 377.064 g·mol−1
Heat of Formation 44.2 ± 16.7 kJ·mol−1
Dipole Moment 6.07 ± 1.08 D
Volume 355.31 Å 3
Surface Area 284.89 Å 2
HOMO Energy -9.81 ± 0.55 eV
LUMO Energy 2.37 ± eV
Point Group Symmetry C1
Synonyms
  • 1-[[(2r,4r)-4-bromo-2-(2,4-dichlorophenyl)-2-tetrahydrofuranyl]methyl]-1,2,4-triazole
  • 1-[[(2r,4r)-4-bromo-2-(2,4-dichlorophenyl)tetrahydrofuran-2-yl]methyl]-1,2,4-triazole
InChIKey HJJVPARKXDDIQD-RNCFNFMXSA-N
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Elements C Cl H O N Br