3-[2-Fluoro-6-(trifluoromethyl)phenyl]prop-2-enoic acid

Base Information

• Chemical Name: 3-[2-Fluoro-6-(trifluoromethyl)phenyl]prop-2-enoic acid
• CAS No.: 243459-92-9
• Molecular Formula: C10H6F4O2
• Molecular Weight: 234.15
• Hs Code.: 2916399090
• DSSTox Substance ID: DTXSID00379223
• Mol file: 243459-92-9.mol

Synonyms:CID 2774795;3-[2-fluoro-6-(trifluoromethyl)phenyl]prop-2-enoic acid;DTXSID00379223

Chemical Property of 3-[2-Fluoro-6-(trifluoromethyl)phenyl]prop-2-enoic acid

Chemical Property:

• Boiling Point: 268.2±35.0 °C(Predicted)
• PKA: 4.07±0.16(Predicted)
• PSA: 37.30000
• Density: 1.438±0.06 g/cm3(Predicted)
• LogP: 2.94230
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 234.03039208
• Heavy Atom Count: 16
• Complexity: 285

Purity/Quality:

98% ^*data from raw suppliers

2-fluoro-6-(trifluoromethyl)cinnamicacid 95 ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C(=C1)F)C=CC(=O)O)C(F)(F)F