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Red 21

CAT: 0931-T34277-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-T34277-01Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
152-75-0
Target
Others
Related Pathways
Others
Bioactivity
Red 21 is a dye.
Smiles
O=C(O)C=1C=CC=CC1C2=C3C=C(Br)C(=O)C(Br)=C3OC=4C(Br)=C(O)C(Br)=CC42
Molecular Formula
C20H8Br4O5
Molecular Weight
647.89
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

2-(2,4,5,7-Tetrabromo-6-hydroxy-3-oxo-3H-xanthen-9-yl)benzoic acid

2',4',5',7'-tetrabromofluorescein is a xanthene dye that is fluorescein bearing bromine substituents at positions 2', 4', 5' and 7'. It is a monocarboxylic acid, an organobromine compound and a xanthene dye. It is a conjugate acid of a 2',4',5',7'-tetrabromofluorescein(2-).

CAS Number152-75-0
PubChem CID11049
IUPAC Name2-(2,4,5,7-tetrabromo-3-hydroxy-6-oxoxanthen-9-yl)benzoic acid
Molecular FormulaC20H8Br4O5
Molecular Weight647.9
XLogP5.6
Topological Polar Surface Area83.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Heavy Atom Count29
Formal Charge0
Complexity848
SMILES
C1=CC=C(C(=C1)C2=C3C=C(C(=O)C(=C3OC4=C(C(=C(C=C24)Br)O)Br)Br)Br)C(=O)O
InChI
InChI=1S/C20H8Br4O5/c21-11-5-9-13(7-3-1-2-4-8(7)20(27)28)10-6-12(22)17(26)15(24)19(10)29-18(9)14(23)16(11)25/h1-6,25H,(H,27,28)
InChIKey
AZXGXVQWEUFULR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(2,4,5,7-Tetrabromo-6-hydroxy-3-oxo-3H-xanthen-9-yl)benzoic acid
CAS: 152-75-0
CID: 11049
Formula: C20H8Br4O5
MW: 647.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight647.9
XLogP35.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Exact Mass647.70642
Monoisotopic Mass643.71052
Topological Polar Surface Area83.8 Ų
Heavy Atom Count29
Formal Charge0
Complexity848
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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