2-(1-Chloroethyl)-8-(trifluoromethyl)-4H-3,1-benzoxazin-4-one

Base Information

• Chemical Name: 2-(1-Chloroethyl)-8-(trifluoromethyl)-4H-3,1-benzoxazin-4-one
• CAS No.: 80777-38-4
• Molecular Formula: C₁₁H₇ClF₃NO₂
• Molecular Weight: 277.63
• DSSTox Substance ID: DTXSID60538859

Synonyms:2-(1-Chloroethyl)-8-(trifluoromethyl)-4H-3,1-benzoxazin-4-one;80777-38-4;SCHEMBL10353725;DTXSID60538859;MBQLJWCLZRDFEZ-UHFFFAOYSA-N

Chemical Property of 2-(1-Chloroethyl)-8-(trifluoromethyl)-4H-3,1-benzoxazin-4-one

Chemical Property:

• XLogP3: 3.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 1
• Exact Mass: 277.0117406
• Heavy Atom Count: 18
• Complexity: 383

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C1=NC2=C(C=CC=C2C(F)(F)F)C(=O)O1)Cl

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