3-(4-Benzylphenyl)-3-oxopropanenitrile

Base Information

• Chemical Name: 3-(4-Benzylphenyl)-3-oxopropanenitrile
• CAS No.: 4640-72-6
• Molecular Formula: C16H13NO
• Molecular Weight: 235.28
• DSSTox Substance ID: DTXSID20564755
• Wikidata: Q82449576
• Mol file: 4640-72-6.mol

Synonyms:3-(4-benzylphenyl)-3-oxopropanenitrile;4640-72-6;DTXSID20564755;AKOS005062513;Ethyl2-chloro-4,4,4-trifluoroacetoacetate

Chemical Property of 3-(4-Benzylphenyl)-3-oxopropanenitrile

Chemical Property:

• PSA: 40.86000
• LogP: 3.37378
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 235.099714038
• Heavy Atom Count: 18
• Complexity: 313

Purity/Quality:

99%min ^*data from raw suppliers

3-(4-Benzyl-phenyl)-3-oxo-propionitrile 95 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)CC2=CC=C(C=C2)C(=O)CC#N