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2,7-Dichlorofluorescein

CAT: 0926-FD52655-01Size: 25 gDry Ice: NoHazardous: No
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CAT#:0926-FD52655-01Size:25 g
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CAS Number
76-54-0
Synonyms
2',7'-Dichloro-3',6'-dihydroxyspiro[isobenzofuran-1 (3H),9'-[9H]xanthen]-3-one;2',7'-Dichloro-3,6-fluorandiol
MDL Number
MFCD00005047
Smiles
C1=CC=C2C (=C1) C (=O) OC23C4=CC (=C (C=C4OC5=CC (=C (C=C35) Cl) O) O) Cl
Molecular Formula
C20H10Cl2O5
Molecular Weight
401.2 g/mol
Controlled
No

Chemical Information

2',7'-Dichlorofluorescein

2',7'-dichlorofluorescein is a member of 2-benzofurans. It has a role as a fluorochrome. It is functionally related to a fluorescin.

CAS Number76-54-0
PubChem CID64944
IUPAC Name2',7'-dichloro-3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one
Molecular FormulaC20H10Cl2O5
Molecular Weight401.2
XLogP4.7
Topological Polar Surface Area76
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
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)Cl)O)O)Cl
InChI
InChI=1S/C20H10Cl2O5/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
VFNKZQNIXUFLBC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2',7'-Dichlorofluorescein
CAS: 76-54-0
CID: 64944
Formula: C20H10Cl2O5
MW: 401.2
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight401.2
XLogP34.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count0
Exact Mass399.9905288
Monoisotopic Mass399.9905288
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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421275-012',7'-Dichlorofluorescein
GT8033-1g2'',7''-Dichlorofluorescein
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DD12202, 7-Dichlorofluorescein
sc-206554A2′,7′-Dichlorofluorescein
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