Sulfobromophthalein

2-hydroxy-5-[4,5,6,7-tetrabromo-1-(4-hydroxy-3-sulfophenyl)-3-oxo-2-benzofuran-1-yl]benzenesulfonic acid

CAS: 297-83-6

Molecular Formula	`C20H10Br4O10S2`
Molecular Weight	794.0 g/mol
LogP	5.2
Topological Polar Surface Area	192.0 A2
Hydrogen Bond Donors	4
Hydrogen Bond Acceptors	10
Rotatable Bonds	4
Exact Mass	793.6408
Heavy Atoms	36
Complexity	1020.0

Chemical Identifiers

CAS Number	297-83-6
SMILES	`C1=CC(=C(C=C1C2(C3=C(C(=C(C(=C3Br)Br)Br)Br)C(=O)O2)C4=CC(=C(C=C4)O)S(=O)(=O)O)S(=O)(=O)O)O`
InChIKey	`OHTXTCNTQJFRIG-UHFFFAOYSA-N`

📖 Product Overview

Sulfobromophthalein (CAS: 297-83-6) is a chemical compound with molecular formula C20H10Br4O10S2 and molecular weight 794.0 g/mol. Its IUPAC systematic name is 2-hydroxy-5-[4,5,6,7-tetrabromo-1-(4-hydroxy-3-sulfophenyl)-3-oxo-2-benzofuran-1-yl]benzenesulfonic acid. LogP 5.2 Topological Polar Surface Area 192.0 A2 Hydrogen Bond Donors 4 Hydrogen Bond Acceptors 10 Rotatable Bonds 4 Exact Mass 793.6408 Heavy Atoms 36 Complexity 1020.0 InChI Key: OHTXTCNTQJFRIG-UHFFFAOYSA-N. SMILES: C1=CC(=C(C=C1C2(C3=C(C(=C(C(=C3Br)Br)Br)Br)C(=O)O2)C4=CC(=C(C=C4)O)S(=O)(=O)O)S(=O)(=O)O)O.

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