2-Bromo-1-(4-methyl-1,3-oxazol-5-yl)ethanone

Base Information

• Chemical Name: 2-Bromo-1-(4-methyl-1,3-oxazol-5-yl)ethanone
• CAS No.: 113732-98-2
• Molecular Formula: C6H6 Br N O2
• Molecular Weight: 204.02134
• DSSTox Substance ID: DTXSID70601604
• Wikidata: Q82498359
• Mol file: 113732-98-2.mol

Synonyms:113732-98-2;2-Bromo-1-(4-methyl-1,3-oxazol-5-yl)ethanone;Ethanone, 2-bromo-1-(4-methyl-5-oxazolyl)- (9CI);2-Bromo-1-(4-methyloxazol-5-yl)ethanone;2-Bromo-1-(4-methyl-1,3-oxazol-5-yl)ethan-1-one;SCHEMBL8879079;4-Methyl-5-bromoacetyl-oxazole;DTXSID70601604;IDUOJJOHBVBLAL-UHFFFAOYSA-N;AKOS017559820;DB-287346;Ethanone, 2-bromo-1-(4-methyl-5-oxazolyl)-

Chemical Property of 2-Bromo-1-(4-methyl-1,3-oxazol-5-yl)ethanone

Chemical Property:

• Boiling Point: 247.7±25.0 °C(Predicted)
• PKA: -1.55±0.14(Predicted)
• PSA: 43.10000
• Density: 1.613±0.06 g/cm3(Predicted)
• LogP: 1.56060
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 202.95819
• Heavy Atom Count: 10
• Complexity: 140

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(OC=N1)C(=O)CBr