1-(4-Isocyanatophenoxy)-3-(trifluoromethyl)benzene

Base Information

• Chemical Name: 1-(4-Isocyanatophenoxy)-3-(trifluoromethyl)benzene
• CAS No.: 87217-81-0
• Molecular Formula: C14H8F3NO2
• DSSTox Substance ID: DTXSID10590902

Synonyms:1-(4-Isocyanatophenoxy)-3-(trifluoromethyl)benzene;87217-81-0;SCHEMBL10609821;DTXSID10590902;TXLOOVQXUBBPML-UHFFFAOYSA-N

Chemical Property of 1-(4-Isocyanatophenoxy)-3-(trifluoromethyl)benzene

Chemical Property:

• XLogP3: 5.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 279.05071298
• Heavy Atom Count: 20
• Complexity: 358

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC(=C1)OC2=CC=C(C=C2)N=C=O)C(F)(F)F

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