General Information of the Compound
| Compound ID |
CP0416249
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| Compound Name |
2,6-dibromo-4-[3-(3,5-dibromo-4-hydroxy-2-methylphenyl)-1,1-dioxo-2,1lambda6-benzoxathiol-3-yl]-3-methylphenol
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| Synonyms |
3',3'',5',5''-Tetrabromo-m-cresolsulfonephthalein
3,3-Bis(3,5-dibromo-4-hydroxy-2-methylphenyl)-3H-benzo[c][1,2]oxathiole 1,1-dioxide
76-60-8
8YGN0Y942M
BRN 0372527
BROMCRESOL GREEN
BROMOCRESOL GREEN, ACS
Bromocresol Green, ACS reagent
Bromocresol blue
Bromocresol green
CHEMBL145704
EINECS 200-972-8
FRPHFZCDPYBUAU-UHFFFAOYSA-N
MFCD00005874
NSC 7817
NSC7817
Phenol, 4,4'-(3H-2,1-benzox
Tetrabromo-m-cresolphthalein sulfone
UNII-8YGN0Y942M
bromo cresol green
bromocresol green
o-Toluenesulfonic acid, alpha-hydroxy-, gamma-sultone
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| Structure |
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| Formula |
C21H14Br4O5S
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| Molecular Weight |
698.021
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| Canonical SMILES |
Cc1c(Br)c(O)c(Br)cc1C1(OS(=O)(=O)c2ccccc12)c1cc(Br)c(O)c(Br)c1C
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| InChI |
InChI=1S/C21H14Br4O5S/c1-9-12(7-14(22)19(26)17(9)24)21(13-8-15(23)20(27)18(25)10(13)2)11-5-3-4-6-16(11)31(28,29)30-21/h3-8,26-27H,1-2H3
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| InChIKey |
FRPHFZCDPYBUAU-UHFFFAOYSA-N
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| CAS |
641-19-0
76-60-8
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Clinical Information about the Compound