(3As,9As)-5-Fluoro-2,3,3A,9A-Tetrahydro-1H-[1,4]Benzodioxino[2,3-C]Pyrrole

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Formula C10H10FNO2
IUPAC Name (3as,9as)-5-fluoro-2,3,3a,9a-tetrahydro-1h-[1,4]benzodioxino[2,3-c]pyrrole
Molecular Mass 195.190 g·mol−1
Heat of Formation -322.1 ± 16.7 kJ·mol−1
Dipole Moment 2.21 ± 1.08 D
Volume 210.62 Å 3
Surface Area 204.19 Å 2
HOMO Energy -9.24 ± 0.55 eV
LUMO Energy -0.21 ± eV
Point Group Symmetry C1
Synonyms
  • (3as,9as)-8-fluoro-2,3,3a,9a-tetrahydro-1h-[1,4]benzodioxino[2,3-c]pyrrole
  • 1h-(1,4)benzodioxino(2,3-c)pyrrole, 5-fluoro-2,3,3a,9a-tetrahydro-, (3as,9as)-
  • 1h-(1,4)benzodioxino(2,3-c)pyrrole, 5-fluoro-2,3,3a,9a-tetrahydro-, (3as-trans)-
  • fluparoxan
  • fluparoxan (fluparoxan hydrochloride; cas 111793-41-0; + hcl + 1/2 h2o)
  • fluparoxanum [latin]
CAS Number(s)
  • 105182-45-4
InChIKey XSOUHEXVEOQRKJ-IUCAKERBSA-N
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