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2',7'-Difluorofluorescein

CAT: 0572-TRC-D447020-100MGSize: 100 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-D447020-100MGSize:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
195136-58-4
Hazard Statement
Harmful if swallowed
Purity
>95% (HPLC)
Smiles
Oc1cc2Oc3cc(O)c(F)cc3C4(OC(=O)c5ccccc45)c2cc1F
Molecular Formula
C20 H10 F2 O5
Molecular Weight
368.287
InChI
InChI=1S/C20H10F2O5/c21-13-5-11-17(7-15(13)23)26-18-8-16(24)14(22)6-12(18)20(11)10-4-2-1-3-9(10)19(25)27-20/h1-8,23-24H
Additionnal Information
IUPAC name: 2',7'-difluoro-3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

2',7'-Difluoro-3',6'-dihydroxy-3H-spiro[isobenzofuran-1,9'-xanthen]-3-one
CAS Number195136-58-4
PubChem CID10292443
IUPAC Name2',7'-difluoro-3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one
Molecular FormulaC20H10F2O5
Molecular Weight368.3
XLogP3.6
Topological Polar Surface Area76
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count0
Heavy Atom Count27
Formal Charge0
Complexity585
SMILES
C1=CC=C2C(=C1)C(=O)OC23C4=CC(=C(C=C4OC5=CC(=C(C=C35)F)O)O)F
InChI
InChI=1S/C20H10F2O5/c21-13-5-11-17(7-15(13)23)26-18-8-16(24)14(22)6-12(18)20(11)10-4-2-1-3-9(10)19(25)27-20/h1-8,23-24H
InChIKey
FJXJIUHGLVUXQP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2',7'-Difluoro-3',6'-dihydroxy-3H-spiro[isobenzofuran-1,9'-xanthen]-3-one
CAS: 195136-58-4
CID: 10292443
Formula: C20H10F2O5
MW: 368.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight368.3
XLogP33.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count0
Exact Mass368.04962974
Monoisotopic Mass368.04962974
Topological Polar Surface Area76 Ų
Heavy Atom Count27
Formal Charge0
Complexity585
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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