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bromcresol purple

Structure via PubChem · Public domain (PubChem)

EntityQ425039· pop 22· linked from 12 articles

bromcresol purple

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Also known as 5′,5″-dibromo-o-cresolsulfophthalein

chemical compound

Chemical data

Formula
C21H16Br2O5S
Molecular weight
540.2 g/mol
IUPAC name
2-bromo-4-[3-(3-bromo-4-hydroxy-5-methylphenyl)-1,1-dioxo-2,1lambda6-benzoxathiol-3-yl]-6-methylphenol
SMILES
CC1=CC(=CC(=C1O)Br)C2(C3=CC=CC=C3S(=O)(=O)O2)C4=CC(=C(C(=C4)C)O)Br
InChIKey
ABIUHPWEYMSGSR-UHFFFAOYSA-N
XLogP
5.1
Polar surface area
92.2 Ų
H-bond donors
2
H-bond acceptors
5
Formal charge
0

via PubChem

Research

217 papers

via PubMed

Wikidata facts

Mass
537.9085188119999
Show 3 more facts
chemical formula
C₂₁H₁₆Br₂O₅S
Commons category
Bromocresol purple
canonical SMILES
CC1=C(C(=CC(=C1)C2(C3=CC=CC=C3S(=O)(=O)O2)C4=CC(=C(C(=C4)Br)O)C)Br)O
Sources (3)

via Wikidata · CC0