methyl 5-[5-[(E)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]furan-2-yl]-2-chlorobenzoate

Base Information

• Chemical Name: methyl 5-[5-[(E)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]furan-2-yl]-2-chlorobenzoate
• CAS No.: 5883-37-4
• Molecular Formula: C22H14ClN3O3
• Molecular Weight: 403.8179
• DSSTox Substance ID: DTXSID80416680
• Wikidata: Q82226125

Synonyms:5883-37-4;methyl 5-[5-[(E)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]furan-2-yl]-2-chlorobenzoate;AC1NSOG7;DTXSID80416680;SMSF0009299;AKOS000443541;CB01004;AB00100273-01

Chemical Property of methyl 5-[5-[(E)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]furan-2-yl]-2-chlorobenzoate

Chemical Property:

• Vapor Pressure: 2.78E-16mmHg at 25°C
• Boiling Point: 640.1°C at 760 mmHg
• Flash Point: 340.9°C
• Density: 1.395g/cm³
• XLogP3: 4.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 403.0723690
• Heavy Atom Count: 29
• Complexity: 690

Purity/Quality:

Safty Information:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C1=C(C=CC(=C1)C2=CC=C(O2)C=C(C#N)C3=NC4=CC=CC=C4N3)Cl
• Isomeric SMILES: COC(=O)C1=C(C=CC(=C1)C2=CC=C(O2)/C=C(\C#N)/C3=NC4=CC=CC=C4N3)Cl

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