2',4'-Dibromo-3',6'-dihydroxyspiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one

Base Information

• Chemical Name: 2',4'-Dibromo-3',6'-dihydroxyspiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one
• CAS No.: 596-02-1
• Molecular Formula: C₂₀H₁₀Br₂O₅
• Molecular Weight: 490.104
• DSSTox Substance ID: DTXSID301140628
• Nikkaji Number: J94.906J

Synonyms:SCHEMBL5353279;DTXSID301140628;596-02-1;2',4'-Dibromo-3',6'-dihydroxyspiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one

Chemical Property of 2',4'-Dibromo-3',6'-dihydroxyspiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one

Chemical Property:

• XLogP3: 4.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 0
• Exact Mass: 489.88745
• Heavy Atom Count: 27
• Complexity: 617

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MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C(=O)OC23C4=C(C=C(C=C4)O)OC5=C(C(=C(C=C35)Br)O)Br

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