5-Methyl-1-[4-(4-methylanilino)-3,5-dinitrobenzoyl]indole-2,3-dione

Base Information

• Chemical Name: 5-Methyl-1-[4-(4-methylanilino)-3,5-dinitrobenzoyl]indole-2,3-dione
• CAS No.: 7006-85-1
• Molecular Formula: C20H26 N2 . 2 Cl H
• Molecular Weight: 460.3957
• DSSTox Substance ID: DTXSID40410104
• Wikidata: Q82216176

Synonyms:5-methyl-1-[4-(4-methylanilino)-3,5-dinitrobenzoyl]indole-2,3-dione;DTXSID40410104;AKOS002685143

Chemical Property of 5-Methyl-1-[4-(4-methylanilino)-3,5-dinitrobenzoyl]indole-2,3-dione

Chemical Property:

• Vapor Pressure: 2.37E-17mmHg at 25°C
• Boiling Point: 661.2°C at 760 mmHg
• Flash Point: 353.7°C
• Density: 1.525g/cm³
• XLogP3: 4.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 3
• Exact Mass: 460.10189886
• Heavy Atom Count: 34
• Complexity: 836

Purity/Quality:

98%min ^*data from raw suppliers

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)NC2=C(C=C(C=C2[N+](=O)[O-])C(=O)N3C4=C(C=C(C=C4)C)C(=O)C3=O)[N+](=O)[O-]

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