1H-Indole-3-ethanimidic acid, N-(4-nitrobenzoyl)-, methyl ester

Base Information

• Chemical Name: 1H-Indole-3-ethanimidic acid, N-(4-nitrobenzoyl)-, methyl ester
• CAS No.: 651714-21-5
• Molecular Formula: C18H15N3O4
• DSSTox Substance ID: DTXSID50476817

Synonyms:651714-21-5;1H-Indole-3-ethanimidic acid, N-(4-nitrobenzoyl)-, methyl ester;DTXSID50476817

Chemical Property of 1H-Indole-3-ethanimidic acid, N-(4-nitrobenzoyl)-, methyl ester

Chemical Property:

• XLogP3: 3.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 337.10625597
• Heavy Atom Count: 25
• Complexity: 523

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: COC(=NC(=O)C1=CC=C(C=C1)[N+](=O)[O-])CC2=CNC3=CC=CC=C32

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