2-[4-(6-Bromo-2-oxochromen-3-yl)-1,3-thiazol-2-yl]-3-(4-fluoroanilino)prop-2-enenitrile

Base Information

• Chemical Name: 2-[4-(6-Bromo-2-oxochromen-3-yl)-1,3-thiazol-2-yl]-3-(4-fluoroanilino)prop-2-enenitrile
• CAS No.: 4610-42-8
• Molecular Formula: C10H8 O9 S3 . 3/2 Ba
• Molecular Weight: 468.2983
• DSSTox Substance ID: DTXSID00412048
• Mol file: 4610-42-8.mol

Synonyms:ChemDiv1_002692;4610-42-8;DTXSID00412048

Chemical Property of 2-[4-(6-Bromo-2-oxochromen-3-yl)-1,3-thiazol-2-yl]-3-(4-fluoroanilino)prop-2-enenitrile

Chemical Property:

• Vapor Pressure: 3.13E-16mmHg at 25°C
• Boiling Point: 639.1°Cat760mmHg
• Flash Point: 340.3°C
• Density: 1.649g/cm³
• XLogP3: 5.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 4
• Exact Mass: 466.97394
• Heavy Atom Count: 29
• Complexity: 744

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1NC=C(C#N)C2=NC(=CS2)C3=CC4=C(C=CC(=C4)Br)OC3=O)F