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3,6-Dichlorofluorescein

CAT: 0931-T205383-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-T205383-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
630-88-6
Bioactivity
3,6-Dichlorofluorescein is a fluorescein compound used for spot tests of drugs containing amino and heterocyclic nitrogen.
Smiles
O=C1OC2(C3=CC=C(Cl)C=C3OC4=CC(Cl)=CC=C42)C=5C=CC=CC15
Molecular Formula
C20H10Cl2O3
Molecular Weight
369.198
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Spiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one, 3',6'-dichloro-
CAS Number630-88-6
PubChem CID99508
IUPAC Name3',6'-dichlorospiro[2-benzofuran-3,9'-xanthene]-1-one
Molecular FormulaC20H10Cl2O3
Molecular Weight369.2
XLogP5.4
Topological Polar Surface Area35.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Heavy Atom Count25
Formal Charge0
Complexity527
SMILES
C1=CC=C2C(=C1)C(=O)OC23C4=C(C=C(C=C4)Cl)OC5=C3C=CC(=C5)Cl
InChI
InChI=1S/C20H10Cl2O3/c21-11-5-7-15-17(9-11)24-18-10-12(22)6-8-16(18)20(15)14-4-2-1-3-13(14)19(23)25-20/h1-10H
InChIKey
LNBKJWCRFAZVLK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Spiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one, 3',6'-dichloro-
CAS: 630-88-6
CID: 99508
Formula: C20H10Cl2O3
MW: 369.2
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight369.2
XLogP35.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass368.0006996
Monoisotopic Mass368.0006996
Topological Polar Surface Area35.5 Ų
Heavy Atom Count25
Formal Charge0
Complexity527
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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HY-D0194-015 (6) -Carboxy-2',7'-dichlorofluorescein
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