(Z)-2-[4-(6-bromo-2-oxochromen-3-yl)-1,3-thiazol-2-yl]-3-(4-methylphenyl)prop-2-enenitrile

Base Information

• Chemical Name: (Z)-2-[4-(6-bromo-2-oxochromen-3-yl)-1,3-thiazol-2-yl]-3-(4-methylphenyl)prop-2-enenitrile
• CAS No.: 5309-76-2
• Molecular Formula: C18H19 N O3
• Molecular Weight: 449.3198
• DSSTox Substance ID: DTXSID80416307
• Wikidata: Q82225551
• Mol file: 5309-76-2.mol

Synonyms:5309-76-2;(Z)-2-[4-(6-bromo-2-oxochromen-3-yl)-1,3-thiazol-2-yl]-3-(4-methylphenyl)prop-2-enenitrile;AC1NSCLT;DTXSID80416307

Chemical Property of (Z)-2-[4-(6-bromo-2-oxochromen-3-yl)-1,3-thiazol-2-yl]-3-(4-methylphenyl)prop-2-enenitrile

Chemical Property:

• Vapor Pressure: 1.04E-16mmHg at 25°C
• Boiling Point: 648.6°Cat760mmHg
• Flash Point: 346.1°C
• Density: 1.544g/cm³
• XLogP3: 5.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 447.98811
• Heavy Atom Count: 28
• Complexity: 719

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)C=C(C#N)C2=NC(=CS2)C3=CC4=C(C=CC(=C4)Br)OC3=O
• Isomeric SMILES: CC1=CC=C(C=C1)/C=C(/C#N)\C2=NC(=CS2)C3=CC4=C(C=CC(=C4)Br)OC3=O