5-(Bromoacetyl)-3-phenylisoxazole

• CAS: 14731-14-7
• Catalog Number: ACM14731147
• Category: Bromine Series
• Molecular Weight: 266.09
• Molecular Formula: C₁₁H₈BrNO₂
• Synonyms: 5-(Bromoacetyl)-3-phenylisoxazole;2-Bromo-1-(3-phenylisoxazol-5-yl)ethan-1-one
• IUPAC Name: 2-bromo-1-(3-phenyl-1,2-oxazol-5-yl)ethanone
• Canonical SMILES: C1=CC=C(C=C1)C2=NOC(=C2)C(=O)CBr
• InChI Key: XTBXGZOVSCTNEC-UHFFFAOYSA-N
• Boiling Point: 416.8ºC at 760mmHg
• Melting Point: 109ºC
• Flash Point: 205.9ºC
• Density: 1.516g/cm³
• Exact Mass: 264.97400
• Hazard Statements: Xi: Irritant
• H-Bond Acceptor: 3
• H-Bond Donor: 0
• Safety Description: 26-36/37/39

Custom Q&A

What is the molecular formula of 5-(Bromoacetyl)-3-phenylisoxazole?

The molecular formula is C11H8BrNO2.

What is the molecular weight of 5-(Bromoacetyl)-3-phenylisoxazole?

The molecular weight is 266.09 g/mol.

What is the IUPAC name of 5-(Bromoacetyl)-3-phenylisoxazole?

The IUPAC name is 2-bromo-1-(3-phenyl-1,2-oxazol-5-yl)ethanone.

What is the InChI of 5-(Bromoacetyl)-3-phenylisoxazole?

The InChI is InChI=1S/C11H8BrNO2/c12-7-10(14)11-6-9(13-15-11)8-4-2-1-3-5-8/h1-6H,7H2.

What is the InChIKey of 5-(Bromoacetyl)-3-phenylisoxazole?

The InChIKey is XTBXGZOVSCTNEC-UHFFFAOYSA-N.

What is the canonical SMILES of 5-(Bromoacetyl)-3-phenylisoxazole?

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

What is the CAS number of 5-(Bromoacetyl)-3-phenylisoxazole?

The CAS number is 14731-14-7.

What is the EC number of 5-(Bromoacetyl)-3-phenylisoxazole?

The EC number is 672-866-3.

Is 5-(Bromoacetyl)-3-phenylisoxazole canonicalized?

Yes, the compound is canonicalized.