2-(3-Iodophenyl)-4,4-dimethyl-5H-1,3-oxazole

Base Information

• Chemical Name: 2-(3-Iodophenyl)-4,4-dimethyl-5H-1,3-oxazole
• CAS No.: 151094-71-2
• Molecular Formula: C₁₁H₁₂INO
• Molecular Weight: 301.127
• DSSTox Substance ID: DTXSID50702249
• Wikidata: Q82634104
• Mol file: 151094-71-2.mol

Synonyms:151094-71-2;2-(3-Iodophenyl)-4,4-dimethyl-5H-1,3-oxazole;4,5-DIHYDRO-2-(3-IODOPHENYL)-4,4-DIMETHYLOXAZOLE;DTXSID50702249;2-(3-Iodophenyl)-4,4-dimethyl-4,5-dihydro-1,3-oxazole

Chemical Property of 2-(3-Iodophenyl)-4,4-dimethyl-5H-1,3-oxazole

Chemical Property:

• Boiling Point: 342.4±25.0 °C(Predicted)
• PKA: 4.52±0.70(Predicted)
• PSA: 21.59000
• Density: 1.62±0.1 g/cm3(Predicted)
• LogP: 2.28220
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 300.99636
• Heavy Atom Count: 14
• Complexity: 250

Purity/Quality:

2-(3-IODOPHENYL)-4,4-DIMETHYL-4,5-DIHYDRO-1,3-OXAZOLE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1(COC(=N1)C2=CC(=CC=C2)I)C