2-Bromo-4,5-diethoxybenzonitrile

Base Information

• Chemical Name: 2-Bromo-4,5-diethoxybenzonitrile
• CAS No.: 445007-64-7
• Molecular Formula: C11H12BrNO2
• Molecular Weight: 270.12248
• DSSTox Substance ID: DTXSID40361162
• Wikidata: Q82143344
• Mol file: 445007-64-7.mol

Synonyms:2-bromo-4,5-diethoxybenzonitrile;445007-64-7;445005-64-1;DTXSID40361162;BBL016353;MFCD02256850;STK398115;AKOS000303636;AS-61169;A7066;2-Bromo-4,5-diethoxybenzonitrile, AldrichCPR

Chemical Property of 2-Bromo-4,5-diethoxybenzonitrile

Chemical Property:

• PSA: 42.25000
• LogP: 3.11818
• XLogP3: 3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 269.00514
• Heavy Atom Count: 15
• Complexity: 238

Purity/Quality:

99% ^*data from raw suppliers

2-Bromo-4,5-diethoxybenzonitrile Aldrich ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCOC1=C(C=C(C(=C1)C#N)Br)OCC