Rose bengal I-131

2,3,4,5-tetrachloro-6-(3-hydroxy-2,4,5,7-tetra(131I)iodo-6-oxoxanthen-9-yl)(131I4)benzoic acid

CAS: 99689-97-1

Molecular Formula	`C20H4Cl4I4O5`
Molecular Weight	989.7 g/mol
LogP	7.6
Topological Polar Surface Area	83.8 A2
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	5
Rotatable Bonds	2
Exact Mass	989.50287
Heavy Atoms	33
Complexity	988.0

Chemical Identifiers

CAS Number	99689-97-1
SMILES	`C1=C2C(=C3C=C(C(=O)C(=C3OC2=C(C(=C1I)O)I)I)I)C4=C(C(=C(C(=C4Cl)Cl)Cl)Cl)C(=O)O`
InChIKey	`VDNLFJGJEQUWRB-CJXAGYTBSA-N`

📖 Product Overview

Rose bengal I-131 (CAS: 99689-97-1) is a chemical compound with molecular formula C20H4Cl4I4O5 and molecular weight 989.7 g/mol. Its IUPAC systematic name is 2,3,4,5-tetrachloro-6-(3-hydroxy-2,4,5,7-tetra(131I)iodo-6-oxoxanthen-9-yl)(131I4)benzoic acid. LogP 7.6 Topological Polar Surface Area 83.8 A2 Hydrogen Bond Donors 2 Hydrogen Bond Acceptors 5 Rotatable Bonds 2 Exact Mass 989.50287 Heavy Atoms 33 Complexity 988.0 InChI Key: VDNLFJGJEQUWRB-CJXAGYTBSA-N. SMILES: C1=C2C(=C3C=C(C(=O)C(=C3OC2=C(C(=C1I)O)I)I)I)C4=C(C(=C(C(=C4Cl)Cl)Cl)Cl)C(=O)O.

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