Benzoic acid, 2-(4,5-dibromo-6-hydroxy-3-oxo-3H-xanthen-9-yl)-

2-(4,5-dibromo-3-hydroxy-6-oxoxanthen-9-yl)benzoic acid

CAS: 5350-25-4

Molecular Formula	`C20H10Br2O5`
Molecular Weight	490.1 g/mol
LogP	4.0
Topological Polar Surface Area	83.8 A2
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	5
Rotatable Bonds	2
Exact Mass	489.88745
Heavy Atoms	27
Complexity	768.0

Chemical Identifiers

CAS Number	5350-25-4
SMILES	`C1=CC=C(C(=C1)C2=C3C=CC(=O)C(=C3OC4=C2C=CC(=C4Br)O)Br)C(=O)O`
InChIKey	`YVPBVWICNJPHCW-UHFFFAOYSA-N`

📖 Product Overview

Benzoic acid, 2-(4,5-dibromo-6-hydroxy-3-oxo-3H-xanthen-9-yl)- (CAS: 5350-25-4) is a chemical compound with molecular formula C20H10Br2O5 and molecular weight 490.1 g/mol. Its IUPAC systematic name is 2-(4,5-dibromo-3-hydroxy-6-oxoxanthen-9-yl)benzoic acid. LogP 4.0 Topological Polar Surface Area 83.8 A2 Hydrogen Bond Donors 2 Hydrogen Bond Acceptors 5 Rotatable Bonds 2 Exact Mass 489.88745 Heavy Atoms 27 Complexity 768.0 InChI Key: YVPBVWICNJPHCW-UHFFFAOYSA-N. SMILES: C1=CC=C(C(=C1)C2=C3C=CC(=O)C(=C3OC4=C2C=CC(=C4Br)O)Br)C(=O)O.

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