1-(6-Nitro-3,4-dihydroisoquinolin-2(1H)-yl)ethanone

Base Information

• Chemical Name: 1-(6-Nitro-3,4-dihydroisoquinolin-2(1H)-yl)ethanone
• CAS No.: 174648-97-6
• Molecular Formula: C₁₁H₁₂N₂O₃
• Molecular Weight: 220.228
• DSSTox Substance ID: DTXSID101222749

Synonyms:174648-97-6;1-(6-Nitro-3,4-dihydroisoquinolin-2(1H)-yl)ethanone;1-(6-nitro-3,4-dihydro-1H-isoquinolin-2-yl)ethanone;SCHEMBL5599548;DTXSID101222749;MFCD27946157;SY279709;1-(3,4-Dihydro-6-nitro-2(1H)-isoquinolinyl)ethanone

Chemical Property of 1-(6-Nitro-3,4-dihydroisoquinolin-2(1H)-yl)ethanone

Chemical Property:

• XLogP3: 1.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 220.08479225
• Heavy Atom Count: 16
• Complexity: 300

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)N1CCC2=C(C1)C=CC(=C2)[N+](=O)[O-]

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