4-[(Z)-3-(3-bromoanilino)-2-cyano-3-oxoprop-1-enyl]benzoic acid

Base Information

• Chemical Name: 4-[(Z)-3-(3-bromoanilino)-2-cyano-3-oxoprop-1-enyl]benzoic acid
• CAS No.: 6059-51-4
• Molecular Formula: C17H11BrN2O3
• Molecular Weight: 371.2
• DSSTox Substance ID: DTXSID20367425
• Wikidata: Q82153259

Synonyms:6059-51-4;ST51012987;DTXSID20367425;AKOS024373870;BIM-0048692.P001;SR-01000226484;SR-01000226484-1

Chemical Property of 4-[(Z)-3-(3-bromoanilino)-2-cyano-3-oxoprop-1-enyl]benzoic acid

Chemical Property:

• Vapor Pressure: 1.88E-16mmHg at 25°C
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 369.99530
• Heavy Atom Count: 23
• Complexity: 529

Purity/Quality:

Safty Information:

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MSDS Files:

Useful:

• Canonical SMILES: C1=CC(=CC(=C1)Br)NC(=O)C(=CC2=CC=C(C=C2)C(=O)O)C#N
• Isomeric SMILES: C1=CC(=CC(=C1)Br)NC(=O)/C(=C\C2=CC=C(C=C2)C(=O)O)/C#N

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