2-Cyano-4,4'-Dinitrobiphenyl

Base Information

• Chemical Name: 2-Cyano-4,4'-Dinitrobiphenyl
• CAS No.: 199273-18-2
• Molecular Formula: C₁₃H₇N₃O₄
• Molecular Weight: 269.216
• DSSTox Substance ID: DTXSID601267405

Synonyms:SCHEMBL8140554;2-Cyano-4,4'-Dinitrobiphenyl;DSOFWZMVTRJXES-UHFFFAOYSA-N;DTXSID601267405;4,4'-Dinitro[1,1'-biphenyl]-2-carbonitrile;199273-18-2

Chemical Property of 2-Cyano-4,4'-Dinitrobiphenyl

Chemical Property:

• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 269.04365571
• Heavy Atom Count: 20
• Complexity: 425

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Useful:

• Canonical SMILES: C1=CC(=CC=C1C2=C(C=C(C=C2)[N+](=O)[O-])C#N)[N+](=O)[O-]

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