5-(Chloromethyl)-3-Oxo-3H-Spiro[2-Benzofuran-1,9'-Xanthene]-3',6'-Diyl Diacetate

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Properties Simple | Detailed

Formula C25H17ClO7
IUPAC Name [6'-acetoxy-5-(chloromethyl)-3-oxo-spiro[isobenzofuran-1,9'-xanthene]-3'-yl] acetate
Molecular Mass 464.851 g·mol−1
Heat of Formation 607.8 ± 16.7 kJ·mol−1
Dipole Moment 3.44 ± 1.08 D
Volume 492.44 Å 3
Surface Area 427.47 Å 2
HOMO Energy -6.07 ± 0.55 eV
LUMO Energy -4.78 ± eV
Point Group Symmetry C1
Synonyms
  • 5-chloromethylfluorescein
  • 5-chloromethylfluorescein diacetate
  • [6'-acetyloxy-5-(chloromethyl)-3-oxo-spiro[2-benzofuran-1,9'-xanthene]-3'-yl] ethanoate
  • [6'-acetyloxy-5-(chloromethyl)-3-oxospiro[2-benzofuran-1,9'-xanthene]-3'-yl] acetate
  • acetic acid [6'-acetoxy-5-(chloromethyl)-3-keto-spiro[isobenzofuran-1,9'-xanthene]-3'-yl] ester
  • acetic acid [6'-acetoxy-5-(chloromethyl)-3-oxo-3'-spiro[isobenzofuran-1,9'-xanthene]yl] ester
  • cmfda
  • spiro(isobenzofuran-1(3h),9'-(9h)xanthen)-3-one, 3',6'-bis(acetyloxy)-5-(chloromethyl)-
CAS Number(s)
  • 136832-63-8
InChIKey IPJDHSYCSQAODE-UHFFFAOYSA-N
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Elements H C O Cl