CID 5153113

Base Information

• Chemical Name: CID 5153113
• CAS No.: 502926-95-6
• Molecular Formula: C6H6BrF3O2
• Molecular Weight: 247.012
• Hs Code.: 2914700090
• DSSTox Substance ID: DTXSID60408927
• Mol file: 502926-95-6.mol

Synonyms:5-bromo-1,1,1-trifluoro-4-methoxypent-3-en-2-one;502926-95-6;DTXSID60408927

Chemical Property of CID 5153113

Chemical Property:

• PSA: 26.30000
• LogP: 2.04300
• XLogP3: 1.8
• 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:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=CC(=O)C(F)(F)F)CBr