Bromochlorophenol blue

C19H10Br2Cl2O5SCAS 2553-71-1581.05 g/mol

OSOOClOHBrClHOBr
Aryl halidePhenolSulfonate ester

Properties

Molecular formula
C19H10Br2Cl2O5S
Molar mass
581.05 g/mol
Exact mass
577.7993 Da
logP
5.94Crippen estimate
Polar surface area
83.8 Ų
H-bond donors / acceptors
2 / 5
Rotatable bonds
2

Identifiers

CAS number
2553-71-1
SMILES
O=S1(=O)OC(c2cc(Cl)c(O)c(Br)c2)(c2cc(Cl)c(O)c(Br)c2)c2ccccc21
InChIKey
MDGFKZKMIQQRPU-UHFFFAOYSA-N
InChI
InChI=1S/C19H10Br2Cl2O5S/c20-12-5-9(7-14(22)17(12)24)19(10-6-13(21)18(25)15(23)8-10)11-3-1-2-4-16(11)29(26,27)28-19/h1-8,24-25H

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Names and synonyms

7 names
  • Phenol, 4,4′-(1,1-dioxido-3H-2,1-benzoxathiol-3-ylidene)bis[2-bromo-6-chloro-
  • Phenol, 4,4′-(3H-2,1-benzoxathiol-3-ylidene)bis[2-bromo-6-chloro-, S,S-dioxide
  • o-Toluenesulfonic acid, α,α-bis(3-bromo-5-chloro-4-hydroxyphenyl)-α-hydroxy-, γ-sultone
  • 3H-2,1-Benzoxathiole, phenol deriv.
  • 4,4′-(1,1-Dioxido-3H-2,1-benzoxathiol-3-ylidene)bis[2-bromo-6-chlorophenol]
  • Bromchlorophenol blue
  • NSC 7816

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Similar compounds

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

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