rose-bengal

2,3,4,5-tetrachloro-6-(3-hydroxy-2,4,5,7-tetraiodo-6-oxoxanthen-9-yl)benzoic acid

CAS: 152-74-9

Molecular Formula	`C20H4Cl4I4O5`
Molecular Weight	973.7 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	973.4962
Heavy Atoms	33
Complexity	988.0

Chemical Identifiers

CAS Number	152-74-9
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-UHFFFAOYSA-N`

📖 Product Overview

rose-bengal (CAS: 152-74-9) is a chemical compound with molecular formula C20H4Cl4I4O5 and molecular weight 973.7 g/mol. Its IUPAC systematic name is 2,3,4,5-tetrachloro-6-(3-hydroxy-2,4,5,7-tetraiodo-6-oxoxanthen-9-yl)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 973.4962 Heavy Atoms 33 Complexity 988.0 InChI Key: VDNLFJGJEQUWRB-UHFFFAOYSA-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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