API0231975
Hexafluorenium Bromide
Hexachlorophene is a disinfectant.
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CAS No.
317-52-2
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Synonyms
Hexafluorenium bromide; Hexafluronium bromide; 317-52-2
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CHEMBL ID
CHEMBL1200933
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Compound CID
9434
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Molecular Weight (g/mol)
662.5
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Molecular Formula
C36H42Br2N2
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InChI
InChI=1S/C36H42N2.2BrH/c1-37(2,35-31-21-11-7-17-27(31)28-18-8-12-22-32(28)35)25-15-5-6-16-26-38(3,4)36-33-23-13-9-19-29(33)30-20-10-14-24-34(30)36;;/h7-14,17-24,35-36H,5-6,15-16,25-26H2,1-4H3;2*1H/q+2;;/p-2
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InChIKey
WDEFPRUEZRUYNW-UHFFFAOYSA-L
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SMILES
C[N+](C)(CCCCCC[N+](C)(C)C1C2=CC=CC=C2C3=CC=CC=C13)C4C5=CC=CC=C5C6=CC=CC=C46.[Br-].[Br-]
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IUPAC Name
9H-fluoren-9-yl-[6-[9H-fluoren-9-yl(dimethyl)azaniumyl]hexyl]-dimethylazanium;dibromide
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Exact Mass (Da)
662.16943
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Monoisotopic Mass (Da)
660.17147
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