3-Bromo-4-oxo-1,4-dihydroquinoline-6-carbonitrile

Base Information

• Chemical Name: 3-Bromo-4-oxo-1,4-dihydroquinoline-6-carbonitrile
• CAS No.: 304904-69-6
• Molecular Formula: C10H5BrN2O
• Molecular Weight: 249.06
• DSSTox Substance ID: DTXSID30627300
• Wikidata: Q82533196
• Mol file: 304904-69-6.mol

Synonyms:3-Bromo-4-oxo-1,4-dihydro-quinoline-6-carbonitrile;304904-69-6;3-Bromo-4-oxo-1,4-dihydroquinoline-6-carbonitrile;1440526-48-6;3-Bromo-4-hydroxy-quinoline-6-carbonitrile;3-bromo-4-oxo-1H-quinoline-6-carbonitrile;SCHEMBL6783710;DTXSID30627300;3-BROMO-4-HYDROXYQUINOLINE-6-CARBONITRILE

Chemical Property of 3-Bromo-4-oxo-1,4-dihydroquinoline-6-carbonitrile

Chemical Property:

• PKA: -0.02±0.40(Predicted)
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 247.95853
• Heavy Atom Count: 14
• Complexity: 341

Purity/Quality:

98.5% ^*data from raw suppliers

3-Bromo-4-oxo-1,4-dihydro-quinoline-6-carbonitrile ＞97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC2=C(C=C1C#N)C(=O)C(=CN2)Br