2-Amino-7-(2-Fluoroethyl)-3,7-Dihydro-6H-Purin-6-One

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Properties Simple | Detailed

Formula C7H8FN5O
IUPAC Name 2-amino-7-(2-fluoroethyl)-3h-purin-6-one
Molecular Mass 197.170 g·mol−1
Heat of Formation -106.4 ± 16.7 kJ·mol−1
Dipole Moment 2.57 ± 1.08 D
Volume 212.14 Å 3
Surface Area 204.27 Å 2
HOMO Energy -9.21 ± 0.55 eV
LUMO Energy -0.71 ± eV
Point Group Symmetry C1
Synonyms
  • 2-amino-7-(2-fluoroethyl)-3h-purin-6-one
  • 6h-purin-6-one, 2-amino-7-(2-fluoroethyl)-1,7-dihydro-
  • 7-(2'-fluoroethyl)guanine
CAS Number(s)
  • 125973-91-3
InChIKey GFUOKMKKHLGCAB-UHFFFAOYSA-N
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