5-(Bromoacetyl)-3-(4-chlorophenyl)isoxazole

• CAS: 258506-49-9
• Catalog Number: ACM258506499
• Category: Bromine Series
• Molecular Weight: 300.54
• Molecular Formula: C₁₁H₇BrClNO₂
• Synonyms: 5-(Bromoacetyl)-3-(4-chlorophenyl)isoxazole;2-Bromo-1-[3-(4-chlorophenyl)-5-isoxazolyl]-1-ethanone
• Density: 1.603g/cm³

Custom Q&A

What is the molecular formula of 5-(Bromoacetyl)-3-(4-chlorophenyl)isoxazole?

The molecular formula is C11H7BrClNO2.

What is the molecular weight of 5-(Bromoacetyl)-3-(4-chlorophenyl)isoxazole?

The molecular weight is 300.53 g/mol.

What is the IUPAC name of 5-(Bromoacetyl)-3-(4-chlorophenyl)isoxazole?

The IUPAC name is 2-bromo-1-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]ethanone.

What is the InChI of 5-(Bromoacetyl)-3-(4-chlorophenyl)isoxazole?

The InChI is InChI=1S/C11H7BrClNO2/c12-6-10(15)11-5-9(14-16-11)7-1-3-8(13)4-2-7/h1-5H,6H2.

What is the InChIKey of 5-(Bromoacetyl)-3-(4-chlorophenyl)isoxazole?

The InChIKey is OUHGJKFYGYXITB-UHFFFAOYSA-N.

What is the canonical SMILES of 5-(Bromoacetyl)-3-(4-chlorophenyl)isoxazole?

The canonical SMILES is C1=CC(=CC=C1C2=NOC(=C2)C(=O)CBr)Cl.

What is the CAS number of 5-(Bromoacetyl)-3-(4-chlorophenyl)isoxazole?

The CAS number is 258506-49-9.

What is the XLogP3-AA value of 5-(Bromoacetyl)-3-(4-chlorophenyl)isoxazole?

The XLogP3-AA value is 3.5.

Is 5-(Bromoacetyl)-3-(4-chlorophenyl)isoxazole a canonicalized compound?

Yes, it is a canonicalized compound.