5-(Difluoromethyl)-8-Oxo-5,8-Dihydro[1,3]Dioxolo[4,5-G]Quinoline-7-Carboxylic Acid

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Properties Simple | Detailed

Formula C12H7F2NO5
IUPAC Name 5-(difluoromethyl)-8-oxo-[1,3]dioxolo[4,5-g]quinoline-7-carboxylic acid
Molecular Mass 283.184 g·mol−1
Heat of Formation -983.4 ± 16.7 kJ·mol−1
Dipole Moment 4.38 ± 1.08 D
Volume 274.79 Å 3
Surface Area 254.18 Å 2
HOMO Energy -9.14 ± 0.55 eV
LUMO Energy 1.82 ± eV
Point Group Symmetry C1
Synonyms
  • 1,3-dioxolo(4,5-g)quinoline-7-carboxylic acid, 5-(difluoromethyl)-5,8-dihydro-8-oxo-
  • 5-(difluoromethyl)-8-keto-[1,3]dioxolo[4,5-g]quinoline-7-carboxylic acid
  • 5-fluoromethyl-5,8-dihydro-8-oxo-1,3-dioxolo(4,5g)quinolone-7-carboxylic acid
  • en 272
  • en-272
CAS Number(s)
  • 64621-47-2
InChIKey JYJKFMPCGBLLHN-UHFFFAOYSA-N
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