5-(Bromomethyl)-3',6'-Dihydroxy-3H-Spiro[2-Benzofuran-1,9'-Xanthen]-3-One

Molecule SVG Image

Properties Simple | Detailed

Formula C21H13BrO5
IUPAC Name 6-(bromomethyl)-3',6'-dihydroxy-spiro[isobenzofuran-3,9'-xanthene]-1-one
Molecular Mass 425.229 g·mol−1
Heat of Formation -526.1 ± 16.7 kJ·mol−1
Dipole Moment 4.23 ± 1.08 D
Volume 410.36 Å 3
Surface Area 356.86 Å 2
HOMO Energy -9.30 ± 0.55 eV
LUMO Energy -1.05 ± eV
Point Group Symmetry C1
Synonyms
  • 5-(bromomethyl)fluorescein
  • 5-bmf
  • 5-bromomethyl fluorescein
  • 6-(bromomethyl)-3',6'-dihydroxy-1-spiro[isobenzofuran-3,9'-xanthene]one
  • 6-(bromomethyl)-3',6'-dihydroxy-spiro[2-benzofuran-3,9'-xanthene]-1-one
  • 6-(bromomethyl)-3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one
  • spiro(isobenzofuran-1(3h),9'-(9h)xanthen)-3-one, 5-(bromomethyl)-3',6'-dihydroxy-
CAS Number(s)
  • 148942-72-7
InChIKey OQHKPJAZGYJYTB-UHFFFAOYSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O Br