1-Benzyl-5,6-dinitro-1H-indole-2,3-dione

Base Information

• Chemical Name: 1-Benzyl-5,6-dinitro-1H-indole-2,3-dione
• CAS No.: 99448-81-4
• Molecular Formula: C15H10 N2 O4
• Molecular Weight: 282.25
• DSSTox Substance ID: DTXSID10912706
• Wikidata: Q82883061
• Mol file: 99448-81-4.mol

Synonyms:DTXSID10912706;1-Benzyl-5,6-dinitro-1H-indole-2,3-dione

Chemical Property of 1-Benzyl-5,6-dinitro-1H-indole-2,3-dione

Chemical Property:

• PSA: 83.20000
• LogP: 2.91250
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 327.04913502
• Heavy Atom Count: 24
• Complexity: 563

Purity/Quality:

97% ^*data from raw suppliers

1-Benzyl-5-nitro-2,3-dihydro-1H-indole-2,3-dione ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)CN2C3=CC(=C(C=C3C(=O)C2=O)[N+](=O)[O-])[N+](=O)[O-]

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