3-Cyano-6,8-dibromo-4-methylcoumarin

Base Information

• Chemical Name: 3-Cyano-6,8-dibromo-4-methylcoumarin
• CAS No.: 262590-95-4
• Molecular Formula: C11H5 Br2 N O2
• Molecular Weight: 342.97
• DSSTox Substance ID: DTXSID80350999
• Wikidata: Q82127084
• Metabolomics Workbench ID: 74176
• Mol file: 262590-95-4.mol

Synonyms:3-CYANO-6,8-DIBROMO-4-METHYLCOUMARIN;262590-95-4;6,8-dibromo-4-methyl-2-oxochromene-3-carbonitrile;6,8-dibromo-4-methyl-2-oxo-2H-chromene-3-carbonitrile;2H-1-Benzopyran-3-carbonitrile, 6,8-dibromo-4-methyl-2-oxo-;SCHEMBL3080235;DTXSID80350999;3-Cyano-6,8-dibromo-4-methylcoumarin, AldrichCPR

Chemical Property of 3-Cyano-6,8-dibromo-4-methylcoumarin

Chemical Property:

• PSA: 54.00000
• LogP: 3.49808
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 342.86665
• Heavy Atom Count: 16
• Complexity: 410

Purity/Quality:

98.5% ^*data from raw suppliers

3-CYANO-6,8-DIBROMO-4-METHYLCOUMARIN 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C(=O)OC2=C1C=C(C=C2Br)Br)C#N