2-(5-{(1Z)-3-[(4-chlorophenyl)amino]-2-cyano-3-oxoprop-1-en-1-yl}furan-2-yl)benzoic acid

Base Information

• Chemical Name: 2-(5-{(1Z)-3-[(4-chlorophenyl)amino]-2-cyano-3-oxoprop-1-en-1-yl}furan-2-yl)benzoic acid
• CAS No.: 5908-50-9
• Molecular Formula: C12H26
• Molecular Weight: 172.35284
• DSSTox Substance ID: DTXSID80365700
• Wikidata: Q82150584
• Mol file: 5908-50-9.mol

Synonyms:2-(5-{(1Z)-3-[(4-chlorophenyl)amino]-2-cyano-3-oxoprop-1-en-1-yl}furan-2-yl)benzoic acid;5908-50-9;AC1LZCTD;DTXSID80365700;STK186380;AKOS000323367

Chemical Property of 2-(5-{(1Z)-3-[(4-chlorophenyl)amino]-2-cyano-3-oxoprop-1-en-1-yl}furan-2-yl)benzoic acid

Chemical Property:

• Vapor Pressure: 1.16E-17mmHg at 25°C
• Boiling Point: 647.7°C at 760 mmHg
• Flash Point: 345.5°C
• PSA: 103.33000
• Density: 1.435g/cm³
• LogP: 4.91688
• Storage Temp.: 2-8°C
• XLogP3: 4.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 392.0563846
• Heavy Atom Count: 28
• Complexity: 663

Purity/Quality:

99% ^*data from raw suppliers

DODECANE-[1-14C] 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C(=C1)C2=CC=C(O2)C=C(C#N)C(=O)NC3=CC=C(C=C3)Cl)C(=O)O
• Isomeric SMILES: C1=CC=C(C(=C1)C2=CC=C(O2)/C=C(/C#N)\C(=O)NC3=CC=C(C=C3)Cl)C(=O)O