3-Bromo-4-ethoxy-1,1,1-trifluorobut-3-en-2-one

Base Information

• Chemical Name: 3-Bromo-4-ethoxy-1,1,1-trifluorobut-3-en-2-one
• CAS No.: 119577-50-3
• Molecular Formula: C6H6BrF3O2
• Molecular Weight: 247.01000
• European Community (EC) Number: 874-552-3
• Nikkaji Number: J1.518.278D,J2.558.058C
• Mol file: 119577-50-3.mol

Synonyms:3-bromo-4-ethoxy-1,1,1-trifluorobut-3-en-2-one;119577-50-3;SCHEMBL9815208;ONAMOZNIUGKDIK-ARJAWSKDSA-N;AKOS000122655;EN300-34744;1,1,1-Trifluoro-3-bromo-4-ethoxy-3-butene-2-one;(Z)-3-Bromo-1,1,1-trifluoro-4-ethoxy-3-butene-2-one

Chemical Property of 3-Bromo-4-ethoxy-1,1,1-trifluorobut-3-en-2-one

Chemical Property:

• PSA: 26.30000
• LogP: 2.39060
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 245.95033
• Heavy Atom Count: 12
• Complexity: 198

Purity/Quality:

3-Bromo-4-ethoxy-1,1,1-trifluorobut-3-en-2-one ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC=C(C(=O)C(F)(F)F)Br
• Isomeric SMILES: CCO/C=C(/C(=O)C(F)(F)F)\Br

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