6-nitro-4-phenyl-3-[(E)-3-quinolin-6-ylprop-2-enoyl]-1H-quinolin-2-one

Base Information

• Chemical Name: 6-nitro-4-phenyl-3-[(E)-3-quinolin-6-ylprop-2-enoyl]-1H-quinolin-2-one
• CAS No.: 6013-89-4
• Molecular Formula: C27H17N3O4
• Molecular Weight: 447.4416
• DSSTox Substance ID: DTXSID90417325
• Wikidata: Q82227159

Synonyms:6013-89-4;BAS 00163890;DTXSID90417325;SMSF0011332;AKOS000636810;CB07652;BIM-0005535.P001

Chemical Property of 6-nitro-4-phenyl-3-[(E)-3-quinolin-6-ylprop-2-enoyl]-1H-quinolin-2-one

Chemical Property:

• Vapor Pressure: 3.37E-21mmHg at 25°C
• Boiling Point: 730.5°Cat760mmHg
• Flash Point: 395.6°C
• Density: 1.391g/cm³
• XLogP3: 4.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 447.12190603
• Heavy Atom Count: 34
• Complexity: 870

Purity/Quality:

Safty Information:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C2=C(C(=O)NC3=C2C=C(C=C3)[N+](=O)[O-])C(=O)C=CC4=CC5=C(C=C4)N=CC=C5
• Isomeric SMILES: C1=CC=C(C=C1)C2=C(C(=O)NC3=C2C=C(C=C3)[N+](=O)[O-])C(=O)/C=C/C4=CC5=C(C=C4)N=CC=C5

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