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tetrachlorofluorescein

tetrachlorofluorescein

CAS: 6262-21-1

Formula: C20H8Cl4O5

SMILES: OC1=CC=C2C(OC3=CC(O)=CC=C3C22OC(=O)C3=C(Cl)C(Cl)=C(Cl)C(Cl)=C23)=C1

IUPAC: 4,5,6,7-tetrachloro-3',6'-dihydroxy-3H-spiro[2-benzofuran-1,9'-xanthen]-3-one

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

Composition: C (51.10%), H (1.72%), Cl (30.17%), O (17.02%)

Molar Mass: 470.08

Atom Count: 37

Heavy Atom Count: 29

Properties
Properties
Common Names tetrachlorofluorescein
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 467.9125842
Formal Charge 0
FSP3 0.05
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey QCPFFGGFHNZBEP-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity 110.44
Topological Polar Surface Area 75.99
Polarizability 42.22
Ring Count 5
Rotatable Bond Count 0

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