3-[5-(Trifluoromethyl)-1H-Benzimidazol-2-Yl]-1-Propanol

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Properties Simple | Detailed

Formula C11H11F3N2O
IUPAC Name 3-[5-(trifluoromethyl)benzimidazol-3-ium-2-yl]propan-1-ol
Molecular Mass 244.213 g·mol−1
Heat of Formation -693.6 ± 16.7 kJ·mol−1
Dipole Moment 5.62 ± 1.08 D
Volume 266.7 Å 3
Surface Area 256.51 Å 2
HOMO Energy -9.68 ± 0.55 eV
LUMO Energy -1.26 ± eV
Point Group Symmetry C1
Synonyms
  • 3-[6-(trifluoromethyl)-1h-benzimidazol-2-yl]propan-1-ol
  • btb 05684
  • sdccgmls-0065852.p001
  • sr-01000642302-1
InChIKey FDRMNTVCDKSRNL-UHFFFAOYSA-N
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