(6As,9As)-8,9-Dichloro-4-Methoxy-2,3,6A,9A-Tetrahydrocyclopenta[C]Furo[3',2':4,5]Furo[2,3-H]Chromene-1,11-Dione

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Properties Simple | Detailed

Formula C17H10Cl2O6
IUPAC Name (6as,9as)-8,9-dichloro-4-methoxy-2,3,6a,9a-tetrahydrocyclopenta[c]furo[3',2':4,5]furo[2,3-h]chromene-1,11-dione
Molecular Mass 381.164 g·mol−1
Heat of Formation -729.5 ± 16.7 kJ·mol−1
Dipole Moment 8.45 ± 1.08 D
Volume 370.17 Å 3
Surface Area 322.84 Å 2
HOMO Energy -9.50 ± 0.55 eV
LUMO Energy -1.53 ± eV
Point Group Symmetry C1
Synonyms
  • afb1-8,9-dichloride
  • afb1cl2
  • aflatoxin b1-8,9-dichloride
  • aflatoxin-b1-8,9-dichloride
  • cyclopenta(c)furo(3',2':4,5)furo(2,3-h)(1)benzopyran-1,11-dione, 8,9-dichloro-2,3,6a,9a-tetrahydro-4-methoxy-, (6as-cis)-
CAS Number(s)
  • 119718-03-5
InChIKey TWAYMZIMOFMBAE-PXAZEXFGSA-N
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Elements H C O Cl