3',5'-Dibromo-2',4,4',6'-Tetrahydroxy Aurone

Base Information

• Chemical Name: 3',5'-Dibromo-2',4,4',6'-Tetrahydroxy Aurone
• CAS No.: 126985-05-5
• Molecular Formula: C15H8 Br2 O6
• Molecular Weight: 444.0284
• UNII: QT9515X0WW
• Wikidata: Q27096993
• Metabolomics Workbench ID: 150934
• Mol file: 126985-05-5.mol

Synonyms:3',5'-dibromo-2',4,4',6-tetrahydroxyaurone;3,5-DBTHA

Chemical Property of 3',5'-Dibromo-2',4,4',6'-Tetrahydroxy Aurone

Chemical Property:

• Boiling Point: 616.4°Cat760mmHg
• Flash Point: 326.6°C
• PSA: 107.22000
• Density: 2.22g/cm³
• LogP: 3.65020
• XLogP3: 4.1
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 1
• Exact Mass: 443.86671
• Heavy Atom Count: 23
• Complexity: 512

Purity/Quality:

98%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C=C2C(=C1O)C(=O)C(=CC3=CC(=C(C(=C3O)Br)O)Br)O2)O
• Isomeric SMILES: C1=C(C=C2C(=C1O)C(=O)/C(=C/C3=CC(=C(C(=C3O)Br)O)Br)/O2)O