Fosfluconazole

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Properties Simple | Detailed

Formula C13H13F2N6O4P
IUPAC Name [1-(2,4-difluorophenyl)-2-(1,2,4-triazol-1-yl)-1-(1,2,4-triazol-1-ylmethyl)ethyl] dihydrogen phosphate
Molecular Mass 386.251 g·mol−1
Heat of Formation -866.7 ± 16.7 kJ·mol−1
Dipole Moment 3.67 ± 1.08 D
Volume 396.97 Å 3
Surface Area 317.82 Å 2
HOMO Energy -9.97 ± 0.55 eV
LUMO Energy -0.90 ± eV
Point Group Symmetry C1
Synonyms
  • 2,4-difluoro-alpha,alpha-bis(1h-1,2,4-triazol-1-ylmethyl)benzyl alcohol, dihydrogen phosphate (ester)
  • [1-(2,4-difluorophenyl)-2-(1,2,4-triazol-1-yl)-1-(1,2,4-triazol-1-ylmethyl)ethyl] dihydrogen phosphate
  • [2-(2,4-difluorophenyl)-1,3-bis(1,2,4-triazol-1-yl)propan-2-yl] dihydrogen phosphate
  • d01429
  • fosfluconazole (jan)
  • procif
  • prodif
  • uk-292,663
CAS Number(s)
  • 194798-83-9
InChIKey GHJWNRRCRIGGIO-UHFFFAOYSA-N
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