chempirical

4,5,6,7-Tetrachlorofluorescein

C20H8Cl4O5CAS 6262-21-1470.08 g/mol

Open in Covalent MOL file
OOOHOHOClClClCl
Aryl halideEsterEtherLactonePhenol

Properties

Molecular formula
C20H8Cl4O5
Molar mass
470.08 g/mol
Exact mass
467.9126 Da
logP
6.28Crippen estimate
Polar surface area
76.0 Ų
H-bond donors / acceptors
2 / 5
Rotatable bonds
0

Identifiers

CAS number
6262-21-1
SMILES
O=C1OC2(c3ccc(O)cc3Oc3cc(O)ccc32)c2c(Cl)c(Cl)c(Cl)c(Cl)c21
InChIKey
QCPFFGGFHNZBEP-UHFFFAOYSA-N
InChI
InChI=1S/C20H8Cl4O5/c21-15-13-14(16(22)18(24)17(15)23)20(29-19(13)27)9-3-1-7(25)5-11(9)28-12-6-8(26)2-4-10(12)20/h1-6,25-26H

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Names and synonyms

5 names
  • Spiro[isobenzofuran-1(3H),9′-[9H]xanthen]-3-one, 4,5,6,7-tetrachloro-3′,6′-dihydroxy-
  • Fluorescein, 4,5,6,7-tetrachloro-
  • 4,5,6,7-Tetrachloro-3′,6′-dihydroxyspiro[isobenzofuran-1(3H),9′-[9H]xanthen]-3-one
  • 3′,4′,5′,6′-Tetrachlorofluorescein
  • Tetrachlorofluorescein

Work with 4,5,6,7-Tetrachlorofluorescein

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Fluorescein2321-07-556 % similar 5-Aminofluorescein3326-34-953 % similar 6-Amino-3′,6′-dihydroxyspiro[isobenzofuran-1(3H),9′-[9H]xanthen]-3-one51649-83-353 % similar 6-Carboxyfluorescein3301-79-951 % similar 5-Fam76823-03-551 % similar Fluorescein 5-isothiocyanate3326-32-747 % similar Phloxine B18472-87-246 % similar Carboxyfluorescein succinimidyl ester92557-81-846 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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