Iodophthalein structure

Iodophthalein

3,3-bis(4-hydroxy-3,5-diiodophenyl)-2-benzofuran-1-one

CAS: 386-17-4
Molecular Formula C20H10I4O4
Molecular Weight 821.9 g/mol
LogP 6.2
Topological Polar Surface Area 66.8 A2
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 4
Rotatable Bonds 2
Exact Mass 821.6758
Heavy Atoms 28
Complexity 551.0

Chemical Identifiers

CAS Number 386-17-4
SMILES C1=CC=C2C(=C1)C(=O)OC2(C3=CC(=C(C(=C3)I)O)I)C4=CC(=C(C(=C4)I)O)I
InChIKey FWQKRBDABCRWKV-UHFFFAOYSA-N

📖 Product Overview

Iodophthalein (CAS: 386-17-4) is a chemical compound with molecular formula C20H10I4O4 and molecular weight 821.9 g/mol. Its IUPAC systematic name is 3,3-bis(4-hydroxy-3,5-diiodophenyl)-2-benzofuran-1-one. LogP 6.2 Topological Polar Surface Area 66.8 A2 Hydrogen Bond Donors 2 Hydrogen Bond Acceptors 4 Rotatable Bonds 2 Exact Mass 821.6758 Heavy Atoms 28 Complexity 551.0 InChI Key: FWQKRBDABCRWKV-UHFFFAOYSA-N. SMILES: C1=CC=C2C(=C1)C(=O)OC2(C3=CC(=C(C(=C3)I)O)I)C4=CC(=C(C(=C4)I)O)I.

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