Butanoic acid, 2-[(4-chlorophenyl)thio]-2-fluoro-, ethyl ester

Base Information

• Chemical Name: Butanoic acid, 2-[(4-chlorophenyl)thio]-2-fluoro-, ethyl ester
• CAS No.: 380859-98-3
• Molecular Formula: C12H14ClFO2S
• Molecular Weight: 276.75500
• DSSTox Substance ID: DTXSID70467000
• Nikkaji Number: J1.902.485G
• Mol file: 380859-98-3.mol

Synonyms:380859-98-3;Butanoic acid, 2-[(4-chlorophenyl)thio]-2-fluoro-, ethyl ester;SCHEMBL14346521;DTXSID70467000

Chemical Property of Butanoic acid, 2-[(4-chlorophenyl)thio]-2-fluoro-, ethyl ester

Chemical Property:

• Boiling Point: 326.6±42.0 °C(Predicted)
• PSA: 51.60000
• Density: 1.24±0.1 g/cm3(Predicted)
• LogP: 4.07100
• XLogP3: 4.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 276.0387067
• Heavy Atom Count: 17
• Complexity: 257

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(C(=O)OCC)(F)SC1=CC=C(C=C1)Cl

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