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Predicted properties of the compound entered.

ID ABIUHPWEYMSGSR-UHFFFAOYSA-N
Formula C21H16Br2O5S
IUPAC Name 3,3-bis(3-bromo-4-hydroxy-5-methylphenyl)-3H-2,1$l^{6}-benzoxathiole-1,1-dione
SMILES
Standard InChI
Standard InChIKey
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Other Names and Identifiers
Standard InChI (User Input) InChI=1S/C21H16Br2O5S/c1-11-7-13(9-16(22)19(11)24)21(14-8-12(2)20(25)17(23)10-14)15-5-3-4-6-18(15)29(26,27)28-21/h3-10,24-25H,1-2H3
Standard InChIKey (User Input) InChIKey=ABIUHPWEYMSGSR-UHFFFAOYSA-N
Non-Standard InChI
Non-Standard InChIKey
Other Names and Identifiers 2-bromo-4-[3-(3-bromo-4-hydroxy-5-methylphenyl)-1,1-dioxobenzo[c]oxathiol-3-yl]-6-methylphenol | 2-bromo-4-[3-(3-bromo-4-hydroxy-5-methyl-phenyl)-1,1-dioxo-benzo[c]oxathiol-3-yl]-6-methyl-phenol | 2-bromo-4-[3-(3-bromo-4-hydroxy-5-methylphenyl)-1,1-dioxo-3-benzo[c]oxathiolyl]-6-methylphenol | 2-bromo-4-[3-(3-bromo-4-hydroxy-5-methyl-phenyl)-1,1-diketo-benzo[c]oxathiol-3-yl]-6-methyl-phenol | 2-bromo-4-[3-(3-bromo-4-hydroxy-5-methyl-phenyl)-1,1-dioxo-benzo[c][1,2]oxathiol-3-yl]-6-methyl-phenol | 115-40-2 | 518-50-3 | 99792-85-5 | NSC374134 | Bromocresol purple | ST5308025 | ZINC03860914 | 17490_FLUKA | AIDS018319 | Bromo-cresol purple | 114375_SIAL | AIDS-018319 | 32642_RIEDEL | 5,5′-Dibromo-o-cresolsulfonphthalein | BROMCRESOL PURPLE | EINECS 204-087-8 | NSC 374134 | Phenol, 4,4'-(1,1-dioxido-3H-2,1-benzoxathiol-3-ylidene)bis(2-bromo-6-methyl- | Phenol, 4,4'-(3H-2,1-benzoxathiol-3-ylidene)bis(2-bromo-6-methyl-, S,S-dioxide | Bromcresol purple sultone form | B5880_SIAL
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Property Value Unit Accuracy
Absolute Entropy of Ideal Gas at 298.15K and 1bar - - -
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Enthalpy of Formation for Ideal Gas at 298.15K - - -
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Net Standard State Enthalpy of Combustion at 298.15K - - -
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Melting Point - - -
Refractive Index - - -
Solubility Parameter at 298.15K - - -
Standard State Absolute Entropy at 298.15K and 1bar - - -
Standard State Enthalpy of Formation at 298.15K and 1bar - - -
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Lower Flammability Limit Temperature - - -
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Liquid Density at Normal Boiling Point - - -
Heat of Vaporization at 298.15K - - -
Heat of Vaporization at Normal Boiling Point - - -
Water Solubility - - -
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