Methyl 2-fluoro-3-(3-methylphenyl)-3-oxopropanoate

Base Information

• Chemical Name: Methyl 2-fluoro-3-(3-methylphenyl)-3-oxopropanoate
• CAS No.: 80171-30-8
• Molecular Formula: C₁₁H₁₁FO₃
• Molecular Weight: 210.205
• DSSTox Substance ID: DTXSID50511656
• Mol file: 80171-30-8.mol

Synonyms:80171-30-8;methyl 2-fluoro-3-(3-methylphenyl)-3-oxopropanoate;DTXSID50511656;Benzenepropanoic acid,alpha-fluoro-3-methyl-beta-oxo-,methyl ester(9ci)

Chemical Property of Methyl 2-fluoro-3-(3-methylphenyl)-3-oxopropanoate

Chemical Property:

• PSA: 43.37000
• LogP: 1.68880
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 210.06922237
• Heavy Atom Count: 15
• Complexity: 252

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=CC=C1)C(=O)C(C(=O)OC)F